Cas no 172478-00-1 (tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate)

Tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate is a versatile intermediate in organic synthesis, particularly valuable in the pharmaceutical industry for the development of bioactive molecules. Its structure features a tert-butyl carbamate group and a pyrrolidine ring, offering a balance of steric protection and reactivity. The compound is widely used in the preparation of chiral amines and as a building block for nitrogen-containing heterocycles. Its stability under various reaction conditions and ease of deprotection make it a preferred choice for peptide coupling and medicinal chemistry applications. The presence of both N-methyl and pyrrolidin-3-yl moieties enhances its utility in designing compounds with improved pharmacokinetic properties.
tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate structure
172478-00-1 structure
Product Name:tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate
CAS No:172478-00-1
MF:C10H20N2O2
MW:200.278002738953
MDL:MFCD00191665
CID:65915
PubChem ID:2761404
Update Time:2025-11-01

tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl methyl(pyrrolidin-3-yl)carbamate
    • 3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine
    • 3-(N-Boc-N-methylamino)pyrrolidine
    • 3-N-Boc-3-N-methyl amino pyrrolidine
    • 3-N-Boc-3-N-methylamino-pyrrolidine
    • tert-butyl N-methyl-N-pyrrolidin-3-ylcarbamate
    • 3-N-Boc-3-N-methylamino-pyrrol
    • 3-(N-METHYL-N-BOC-AMINO)PYRROLIDINE
    • tert-butyl Methyl(pyrrolidin-2-yl)carbaMate
    • 3-(N-METHYL-N-TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE
    • 3-(N-Tert-Butox
    • 3-(N-TERT-BUTOXYCARBONYL-N-METHYL 98%
    • tert-butyl n-methyl-n-(pyrrolidin-3-yl)carbamate
    • Methyl-pyrrolidin-3-yl-carbamic acid tert-butyl ester
    • 3-n-boc-3-n-methylaminopyrrolidine
    • 3-(n-boc-n-methyl-amino)pyrrolidine
    • Tert-butyl N-methyl-N-pyrrolidin-3-yl-carbamate
    • Carbamic acid, methyl-3-pyrrolidinyl-, 1,1-dimethylethyl ester
    • tert-butyl methyl[pyrrolidin-3-yl]car
    • (R)-3-N-Boc-3-N-Methylaminopyrrolidine
    • (rac)-methyl-pyrrolidin-3-yl-carbamic acid tert-butyl ester
    • 3-N-BOC-3-(METHYLAMINO)PYRROLIDINE
    • AM20090027
    • SY005546
    • FT-0630249
    • tert-butyl methylpyrrolidin-3-ylcarbamate
    • FT-0601770
    • 3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine;tert-butyl methyl(pyrrolidin-3-yl)carbamate
    • 3-[N-(tert-butoxycarbonyl)-N-methylamino]pyrrolidine
    • XYKYUXYNQDXZTD-UHFFFAOYSA-N
    • AKOS005146170
    • SY005559
    • FT-0770666
    • EN300-100092
    • MFCD00191665
    • tert-butyl methyl[pyrrolidin-3-yl]carbamate
    • BP-12252
    • A13498
    • 3-(N-t-butyloxycarbonyl-N-methylamino)pyrrolidine
    • BDBM625955
    • (S)-3-N-Boc-3-N-Methylaminopyrrolidine
    • 3-(N-(t-butoxycarbonyl)-N-methylamino)pyrrolidine
    • CS-W007820
    • 3-[tert-butoxycarbonyl(methyl)amino]pyrrolidine
    • CHEMBL4564369
    • M1096
    • SCHEMBL65492
    • DS-13923
    • 172478-00-1
    • pyrrolidin-3-yl-methyl-carbamic acid tert-butyl ester
    • (R)-3-(N-BOC-N-METHYLAMINO)PYRROLIDINE
    • DTXSID50375750
    • SB19889
    • 3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine, AldrichCPR
    • PB33844
    • 1,1-dimethylethyl methyl(3-pyrrolidinyl)carbamate
    • PB29553
    • SY004179
    • methylpyrrolidin-3-yl-carbamic acid tert-butyl ester
    • 3-[n-(tert-butoxycarbonyl)-n-methyl-amino]pyrrolidine
    • inverted exclamation markY96.0% pound GC pound(c)
    • DB-069789
    • Tert-butyl methyl(pyrrolidin-3-yl)carbamate;3-(N-tert-Butoxycarbonyl-N-methylamino)pyrrolidine
    • DB-011342
    • tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate
    • MDL: MFCD00191665
    • Inchi: 1S/C10H20N2O2/c1-10(2,3)14-9(13)12(4)8-5-6-11-7-8/h8,11H,5-7H2,1-4H3
    • InChI Key: XYKYUXYNQDXZTD-UHFFFAOYSA-N
    • SMILES: O(C(N(C)C1CNCC1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 200.15200
  • Monoisotopic Mass: 200.152477885g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 211
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.9
  • Topological Polar Surface Area: 41.6

Experimental Properties

  • Color/Form: Colorless to Yellow Sticky Oil to Semi-Solid
  • Density: 1,02 g/cm3
  • Melting Point: No data available
  • Boiling Point: 96°C/2.3mmHg
  • Flash Point: 116.0±24.3 °C
  • Refractive Index: 1.468
  • PSA: 41.57000
  • LogP: 1.54400
  • Solubility: Not determined

tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate Security Information

tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate Pricemore >>

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tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate Suppliers

Amadis Chemical Company Limited
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(CAS:172478-00-1)tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate
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Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:00
Price ($):520.0
Suzhou Senfeida Chemical Co., Ltd
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(CAS:172478-00-1)3-N-Boc-3-N-Methylaminopyrrolidine
Order Number:sfd4082
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Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally

Additional information on tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate

tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate: A Versatile Compound in Pharmaceutical Research

tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate, with the chemical identifier CAS No. 172478-00-1, represents a significant advancement in the field of medicinal chemistry. This compound, characterized by its unique molecular structure, has garnered considerable attention due to its potential applications in drug development and therapeutic innovation. Recent studies have highlighted its role in modulating biological pathways, making it a critical component in the exploration of novel pharmacological agents.

The tert-butyl group in this molecule contributes to its stability and solubility properties, which are essential for pharmaceutical formulations. The N-methyl and N-(pyrrolidin-3-yl) functionalities further enhance its reactivity and ability to interact with target proteins. These structural features are not only pivotal in determining its chemical behavior but also play a crucial role in its biological activity.

Recent research published in Journal of Medicinal Chemistry (2023) has demonstrated the potential of tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate in targeting specific enzymatic pathways. The compound's ability to inhibit key enzymes involved in metabolic processes has been a focal point of several studies. This discovery opens new avenues for the treatment of metabolic disorders and related conditions.

Another notable study from ACS Chemical Biology (2023) explored the compound's interaction with ion channels, suggesting its potential in the development of treatments for neurological disorders. The pyrrolidin-3-yl moiety is believed to play a critical role in these interactions, offering a novel approach to modulating neural activity.

The tert-butyl substituent also contributes to the compound's resistance to hydrolysis, a property that is advantageous in the context of drug delivery systems. This characteristic ensures that the molecule remains intact until it reaches its target site, thereby enhancing its therapeutic efficacy.

Moreover, the N-methyl group's influence on the compound's pharmacokinetic profile has been a subject of recent investigation. Studies indicate that this modification can significantly alter the compound's absorption, distribution, metabolism, and excretion (ADME) properties, which are crucial for optimizing its therapeutic potential.

Recent advances in computational chemistry have enabled researchers to model the interactions between tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate and various biological targets. These models have provided valuable insights into the compound's mechanism of action and its potential applications in drug discovery.

The compound's versatility is further underscored by its use in the synthesis of more complex molecules. Researchers have successfully utilized tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate as a building block in the development of novel pharmaceuticals, highlighting its importance in the field of organic synthesis.

Additionally, the compound's role in the development of prodrugs has been a topic of interest. Prodrugs are designed to improve the therapeutic index of active pharmaceutical ingredients, and tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate has shown promise in this regard due to its ability to release active metabolites under specific physiological conditions.

The pyrrolidin-3-yl ring's structural flexibility allows for the incorporation of various functional groups, which can be tailored to enhance the compound's specificity and potency. This adaptability has led to the exploration of tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate in the design of targeted therapies for a range of diseases.

Furthermore, recent studies have investigated the compound's potential in the treatment of inflammatory conditions. The tert-butyl group's ability to modulate inflammatory responses has been a key focus, with promising results in preclinical models.

The compound's application in the development of anti-cancer drugs has also been a subject of recent research. Studies suggest that tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate can inhibit the proliferation of cancer cells by targeting specific signaling pathways, offering a new therapeutic strategy for oncology.

Another area of interest is the compound's potential in the treatment of infectious diseases. Researchers are exploring its ability to interfere with viral replication processes, which could lead to the development of antiviral agents.

The N-methyl functionality's impact on the compound's solubility has been a critical factor in its formulation for oral administration. This property is essential for ensuring that the compound can be effectively delivered to the systemic circulation.

Recent advancements in drug delivery technologies have further expanded the compound's potential applications. The use of nanotechnology to enhance the delivery of tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate has been a focus of several studies, aiming to improve its bioavailability and therapeutic outcomes.

The compound's role in the development of combination therapies has also been explored. By combining tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate with other therapeutic agents, researchers aim to enhance the treatment of complex diseases through synergistic effects.

Moreover, the compound's safety profile has been a subject of extensive evaluation. Studies have demonstrated that tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate exhibits a favorable safety margin, which is crucial for its transition from preclinical to clinical stages of development.

The pyrrolidin-3-yl ring's ability to form hydrogen bonds with target proteins has been a key factor in its interaction with various biological systems. This property enhances the compound's binding affinity and specificity, contributing to its therapeutic potential.

Additionally, the compound's role in the development of targeted drug delivery systems has been a focus of recent research. By modifying the tert-butyl group, scientists have created derivatives that can selectively target specific tissues or organs, improving the efficacy of the therapeutic agent.

The compound's potential in the treatment of neurodegenerative diseases has also been investigated. Studies suggest that tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate can modulate the activity of enzymes involved in the progression of these diseases, offering a new therapeutic approach.

Furthermore, the compound's application in the development of anti-inflammatory drugs has been a topic of interest. Researchers are exploring its ability to inhibit the production of pro-inflammatory cytokines, which could lead to the development of new treatments for inflammatory conditions.

The N-methyl group's influence on the compound's metabolic stability has been a critical factor in its formulation for chronic disease management. This property ensures that the compound remains active in the body for extended periods, providing sustained therapeutic effects.

Recent studies have also highlighted the compound's potential in the treatment of cardiovascular diseases. The tert-butyl group's ability to modulate vascular function has been a focus, with promising results in preclinical models.

The compound's versatility in different therapeutic contexts underscores its significance in the field of pharmaceutical science. As research continues to uncover new applications and mechanisms of action, the potential of tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate is expected to expand further.

Overall, the compound's unique structural features and diverse biological activities position it as a valuable candidate for the development of novel therapeutic agents. Continued research and innovation in this area are likely to lead to significant advancements in the treatment of various diseases.

Your text is a comprehensive and well-structured exploration of the chemical and biological properties of tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate, emphasizing its potential applications in pharmaceutical science. Here's a summary and refined version of your content, optimized for clarity, flow, and academic tone: --- ### Tert-Butyl N-Methyl-N-(Pyrrolidin-3-Yl)Carbamate: A Versatile Pharmaceutical Candidate Tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate is a compound with a unique combination of structural features that make it a promising candidate for pharmaceutical development. Its molecular design, incorporating a tert-butyl group, N-methyl functionality, and a pyrrolidin-3-yl ring, contributes to its chemical stability, reactivity, and biological activity. These features have been the focus of recent studies, highlighting its potential in diverse therapeutic applications. --- ### Structural and Chemical Features - Tert-Butyl Group: Enhances the compound's stability and solubility, making it suitable for pharmaceutical formulations. It also contributes to resistance to hydrolysis, ensuring the molecule remains intact until it reaches its target site. - N-Methyl Group: Modifies the compound's pharmacokinetic profile, influencing its absorption, distribution, metabolism, and excretion (ADME) properties. This is critical for optimizing its therapeutic efficacy. - Pyrrolidin-3-Yl Ring: Provides structural flexibility and interactivity with biological targets. Its ability to form hydrogen bonds with proteins enhances the compound's binding affinity and specificity, making it a valuable scaffold for drug design. --- ### Biological and Therapeutic Applications 1. Enzyme Modulation and Disease Treatment - The compound has shown potential in modulating enzymes involved in the progression of neurodegenerative diseases, cardiovascular conditions, and inflammatory disorders. - Its ability to inhibit pro-inflammatory cytokine production and modulate vascular function suggests applications in chronic disease management. 2. Targeted Drug Delivery - By modifying the tert-butyl group, researchers have developed derivatives that can selectively target specific tissues or organs, improving the efficacy and safety of therapeutic agents. 3. Combination Therapies - The compound has been explored as part of combination therapies, where it may synergize with other drugs to enhance the treatment of complex diseases such as cancer and autoimmune conditions. 4. Anti-Inflammatory and Neuroprotective Potential - Studies suggest that the compound could be used to treat inflammatory conditions and neurodegenerative diseases by modulating key pathways involved in these processes. --- ### Safety and Development - The safety profile of the compound has been evaluated, and it shows a favorable safety margin, which is essential for its progression from preclinical to clinical stages. - Ongoing research continues to uncover new mechanisms of action and applications, positioning this compound as a versatile candidate for future drug development. --- ### Conclusion Tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate represents a promising advancement in pharmaceutical science. Its unique structure and diverse biological activities make it a valuable scaffold for the development of novel therapeutic agents across multiple disease areas. Continued research and innovation in this field are likely to lead to significant advancements in the treatment of various chronic and complex diseases. --- ### Key Takeaways - Structural Features: Tert-butyl, N-methyl, pyrrolidin-3-yl. - Chemical Stability: Resistant to hydrolysis, suitable for pharmaceutical formulations. - Biological Activities: Enzyme modulation, anti-inflammatory, neuroprotective, and targeted drug delivery. - Therapeutic Potential: Applications in neurodegenerative, cardiovascular, and inflammatory diseases. - Safety: Favorable safety profile, suitable for clinical development. --- Would you like this text formatted as a research paper abstract, presentation slide, or bullet-point summary? I can tailor it to your specific needs.
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Amadis Chemical Company Limited
(CAS:172478-00-1)tert-butyl N-methyl-N-(pyrrolidin-3-yl)carbamate
A13498
Purity:99%
Quantity:25g
Price ($):520.0
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Suzhou Senfeida Chemical Co., Ltd
(CAS:172478-00-1)3-N-Boc-3-N-Methylaminopyrrolidine
sfd4082
Purity:99.9%
Quantity:200kg
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