Cas no 411238-88-5 (Tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate)
Tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Pyrrolidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, 3-hydrazide
- 1-Boc-3-hydrazinocarbonylpyrrolidine
- 3-Hydrazinocarbonyl-pyrrolidine-1-carboxylic acid tert-butyl ester
- tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
- tert-butyl 3-(hydrazinocarbonyl)pyrrolidine-1-carboxylate
- HFMHEXPZANOFSL-UHFFFAOYSA-N
- 2876AE
- 1-Boc-3-hydrazinocarbonyl-pyrrolidine
- 1-Boc-3-(hydrazinecarbonyl)pyrrolidine
- PB20857
- FCH1620583
- AK153767
- AX8028675
- A825446
- tert-butyl 3-(aminoca
- 3-Hydrazinocarbonyl-pyrrolidine-1-carboxylicacidtert-butylester
- SCHEMBL316087
- AMY35503
- 1,3-Pyrrolidinedicarboxylicacid,1-(1,1-dimethylethyl)ester,3-hydrazide
- Tert-butyl3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
- CS-0048365
- SB20824
- DTXSID80404986
- MFCD03791258
- EN300-212930
- 411238-88-5
- 1-Boc-3-hydrazinocarbonylpyrrolidine; tert-butyl 3-(hydrazinocarbonyl)pyrrolidine-1-carboxylate; 3-Hydrazinocarbonyl-pyrrolidine-1-carboxylic acid tert-butyl ester;
- AS-50453
- P10275
- 3-Hydrazinocarbonyl-pyrrolidine-1-carboxylic acid tert-butyl ester, AldrichCPR
- AKOS015838322
- FT-0677583
- 1-BOC-PYRROLIDINE-3-CARBOXYLIC ACID HYDRAZIDE
- SB20823
- DB-029575
- Tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
-
- MDL: MFCD03791258
- Inchi: 1S/C10H19N3O3/c1-10(2,3)16-9(15)13-5-4-7(6-13)8(14)12-11/h7H,4-6,11H2,1-3H3,(H,12,14)
- InChI Key: HFMHEXPZANOFSL-UHFFFAOYSA-N
- SMILES: O(C(C)(C)C)C(N1CCC(C(NN)=O)C1)=O
Computed Properties
- Exact Mass: 229.14300
- Monoisotopic Mass: 229.143
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 286
- 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
- XLogP3: -0.2
- Topological Polar Surface Area: 84.7
Experimental Properties
- Density: 1.18
- Boiling Point: 395.8°Cat760mmHg
- Flash Point: 193.1°C
- Refractive Index: 1.514
- PSA: 84.66000
- LogP: 1.26240
Tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate Security Information
- Hazardous Material transportation number:NONH for all modes of transport
- Hazard Category Code: 22
-
Hazardous Material Identification:
- HazardClass:IRRITANT
Tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
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 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate Pricemore >>
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Tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate Suppliers
Tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
Additional information on Tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
Comprehensive Overview of Tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate (CAS No. 411238-88-5)
Tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate (CAS No. 411238-88-5) is a specialized organic compound widely utilized in pharmaceutical research and fine chemical synthesis. This compound, featuring a pyrrolidine backbone with hydrazinecarbonyl and tert-butyl carboxylate functional groups, serves as a versatile intermediate in the development of bioactive molecules. Its unique structure enables applications in drug discovery, particularly in the design of protease inhibitors and peptidomimetics, aligning with current trends in targeted therapy and precision medicine.
The growing interest in small-molecule therapeutics has propelled the demand for advanced intermediates like Tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate. Researchers frequently search for "pyrrolidine derivatives in drug design" or "hydrazine-based building blocks," reflecting its relevance in modern medicinal chemistry. This compound's Boc-protected (tert-butoxycarbonyl) group enhances stability during synthetic processes, a feature highly valued in multi-step organic reactions. Its compatibility with solid-phase peptide synthesis (SPPS) further expands its utility in combinatorial chemistry libraries.
From a synthetic chemistry perspective, CAS 411238-88-5 demonstrates remarkable flexibility in cross-coupling reactions and ring-forming transformations. Recent publications highlight its role in constructing spirocyclic compounds, a structural motif gaining traction in CNS drug development. The compound's hydrazide moiety enables selective conjugation with aldehydes and ketones, making it invaluable for creating bioconjugates—a hot topic in antibody-drug conjugate (ADC) research. These properties address frequent search queries like "click chemistry compatible intermediates" and "scaffolds for fragment-based drug discovery."
Quality parameters for Tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate typically include ≥95% purity (HPLC), with strict control of residual solvents per ICH guidelines. Analytical techniques such as NMR spectroscopy (1H, 13C) and mass spectrometry confirm structural integrity, while X-ray crystallography studies have elucidated its conformational preferences. Such rigorous characterization meets the pharmaceutical industry's emphasis on Quality by Design (QbD) principles, a recurring theme in regulatory discussions.
Environmental and handling considerations for this compound reflect broader industry shifts toward green chemistry. While not classified as hazardous, proper storage under inert atmosphere at 2-8°C maintains stability. The compound's low ecotoxicity profile aligns with sustainable chemistry initiatives, responding to growing searches for "biodegradable chemical intermediates." Its synthetic routes increasingly incorporate catalytic methods over stoichiometric reagents, reducing waste generation.
In the context of AI-assisted molecular design, 411238-88-5 serves as a valuable training dataset for predictive algorithms. Machine learning models analyzing "pyrrolidine-based druglikeness" frequently incorporate its structural features. The compound's balanced lipophilicity (LogP ~1.8) and molecular weight (243.3 g/mol) make it a reference point for rule-of-five compliance studies, addressing common queries about "lead compound optimization."
The global market for Tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate reflects expanding applications in orphan drug development and rare disease therapeutics. Custom synthesis services offering isotope-labeled versions (13C, 15N) cater to pharmacokinetic studies, while high-throughput screening platforms utilize it as a core scaffold. These trends intersect with popular searches for "specialty chemicals for personalized medicine" and "building blocks for PROTACs," underscoring its interdisciplinary importance.
Ongoing research explores novel derivatives of CAS 411238-88-5 for allosteric modulation applications, particularly in GPCR-targeted therapies. The compound's conformational restriction potential makes it attractive for designing selective kinase inhibitors, a focus area in oncology research. Such developments respond to frequent inquiries about "three-dimensional fragment libraries" and "saturated heterocycles in drug design," positioning this chemical entity at the forefront of modern pharmaceutical innovation.
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