Cas no 179321-49-4 (tert-butyl N-(4-oxocyclohexyl)carbamate)

Tert-butyl N-(4-oxocyclohexyl)carbamate is a versatile intermediate in organic synthesis, particularly valuable for its role in the preparation of pharmaceuticals and fine chemicals. The tert-butyloxycarbonyl (Boc) protecting group enhances stability and facilitates selective deprotection under mild acidic conditions, making it advantageous for peptide and heterocycle synthesis. The 4-oxocyclohexyl moiety provides a reactive ketone functionality, enabling further derivatization through reduction, condensation, or nucleophilic addition. This compound is characterized by high purity and consistent performance, ensuring reliable results in complex synthetic pathways. Its compatibility with a range of reagents and solvents underscores its utility in research and industrial applications.
tert-butyl N-(4-oxocyclohexyl)carbamate structure
179321-49-4 structure
Product Name:tert-butyl N-(4-oxocyclohexyl)carbamate
CAS No:179321-49-4
MF:C11H19NO3
MW:213.273463487625
MDL:MFCD00798168
CID:66121
PubChem ID:172089112
Update Time:2025-06-08

tert-butyl N-(4-oxocyclohexyl)carbamate Chemical and Physical Properties

Names and Identifiers

    • (4-Oxocyclohexyl)carbamic acid tert-butyl ester
    • tert-Butyl 4-oxocyclohexylcarbamate
    • BOC-4-AMINOCYCLOHEXANONE
    • (4-OXO-CYCLOHEXYL)-CARBAMIC ACIDTERT-BUTYLESTER
    • 4-N-BOC-AMINOCYCLOHEXANONE
    • 4-N-BOC-4-AMINOCYCLOHEXANONE
    • 4-AMINOCYCLOHEXANONEN-BOCPROTECTED
    • N-T-BOC-4-AMINOCYCLOHEXANONE
    • Carbamicacid,(4-oxocyclohexyl)-,1,1-dimethylethylester(9CI)
    • 4-(Boc-Amino)cyclohexanone
    • 4-(TERT-BUTOXYCARBONYLAMINO)CYCLOHEXANONE
    • 4-N-Boc-Aminocyclohexanone4
    • N-Boc-4-Aminocyclohexanone
    • 4-(tert-butyloxycarbonylamino)cyclohexanone
    • N-4-Boc-aminocyclohexanone
    • 4-(N-Boc-amino)cyclohexanone
    • tert-Butyl (4-oxocyclohexyl)carbamate
    • tert-Butyl 4-hydroxycyclohexylcarbamate
    • tert-butyl N-(4-oxocyclohexyl)carbamate
    • 4-Boc-aminocyclohexanone
    • N-Boc-4-amino-cyclohexan-1-one
    • N-tert-butyloxycarbonyl-4-aminocyclohexanone
    • tert-butyl 4-oxocyclohexylcarbam
    • (4-Oxocyclohexyl)carbamicacid tert-butyl ester
    • N-4-Boc-aminocyclohexanone 95%
    • (4-Oxo-cyclohexyl)-carbamic acid tert-butyl ester
    • CARBAMIC ACID, (4-OXOCYCLOHEXYL)-, 1,1-DIMETHYLETHYL ESTER
    • CS-D1718
    • SCHEMBL117269
    • DTXSID30363711
    • F2167-1221
    • (4-Oxocyclohexyl)carbamic acid tert-butyl ester;N-Boc-4-Aminocyclohexanone
    • PS-5440
    • AM20070462
    • WYVFPGFWUKBXPZ-UHFFFAOYSA-N
    • FT-0601722
    • CHEMBL4925068
    • t-butyl (4-oxocyclohexyl)carbamate
    • tert-butyl 4-oxo-cyclohexylcarbamate
    • N-4-Boc-aminocyclohexanone, AldrichCPR
    • tert-butyl(4-oxocyclohexyl)carbamate
    • PB29108
    • 179321-49-4
    • A3978
    • 1,1-dimethylethyl (4-oxocyclohexyl)carbamate
    • EN300-74350
    • Z255149962
    • Carbamic acid, N-(4-oxocyclohexyl)-, 1,1-dimethylethyl ester
    • B3856
    • SY003388
    • BCP23195
    • 4-aminocyclohexanone, n-boc protected
    • N-4-Boc-aminocyclohexanone, 95%
    • AKOS004910703
    • MFCD00798168
    • t-butyl 4-oxocyclohexylcarbamate
    • A1-00714
    • Q-102987
    • AC-1691
    • MDL: MFCD00798168
    • Inchi: 1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h8H,4-7H2,1-3H3,(H,12,14)
    • InChI Key: WYVFPGFWUKBXPZ-UHFFFAOYSA-N
    • SMILES: O(C(NC1CCC(CC1)=O)=O)C(C)(C)C
    • BRN: 9326824

Computed Properties

  • Exact Mass: 213.13600
  • Monoisotopic Mass: 213.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 245
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55.4A^2
  • XLogP3: 1.2

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Density: 1.06
  • Melting Point: 114.0 to 118.0 deg-C
  • Boiling Point: 335.9℃ at 760 mmHg
  • Flash Point: 157℃
  • Refractive Index: 1.474
  • PSA: 55.40000
  • LogP: 2.41370

tert-butyl N-(4-oxocyclohexyl)carbamate Security Information

  • Symbol: GHS09
  • Signal Word:Warning
  • Hazard Statement: H400
  • Warning Statement: P273
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 50
  • Safety Instruction: S26; S36/37/39
  • Hazardous Material Identification: Xi
  • Safety Term:26-36/37/39
  • HazardClass:9
  • PackingGroup:III
  • Storage Condition:2-8°C
  • Risk Phrases:R36/37/38

tert-butyl N-(4-oxocyclohexyl)carbamate Customs Data

  • HS CODE:2924299090
  • Customs Data:

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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tert-butyl N-(4-oxocyclohexyl)carbamate Production Method

tert-butyl N-(4-oxocyclohexyl)carbamate Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:179321-49-4)N-Boc-氨基-4-環(huán)己酮
Order Number:LE2753018
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:42
Price ($):discuss personally

Additional information on tert-butyl N-(4-oxocyclohexyl)carbamate

Professional Introduction to Compound with CAS No. 179321-49-4 and Product Name: Tert-butyl N-(4-oxocyclohexyl)carbamate

The compound with the CAS number 179321-49-4 and the product name Tert-butyl N-(4-oxocyclohexyl)carbamate represents a significant advancement in the field of pharmaceutical chemistry. This compound, characterized by its unique structural and functional properties, has garnered considerable attention in recent years due to its potential applications in drug development and medicinal chemistry. The molecular structure of Tert-butyl N-(4-oxocyclohexyl)carbamate consists of a tert-butyl group attached to a carbamate moiety, which is further linked to a 4-oxocyclohexyl group. This configuration imparts distinct chemical and biological characteristics that make it a valuable candidate for various research and therapeutic applications.

In the realm of modern pharmaceutical research, the exploration of novel intermediates and bioactive molecules is crucial for the development of next-generation therapeutics. The Tert-butyl N-(4-oxocyclohexyl)carbamate compound has been extensively studied for its role as a key intermediate in the synthesis of more complex pharmacophores. Its structural features, particularly the presence of the carbamate group, make it an attractive scaffold for designing molecules with enhanced binding affinity and selectivity towards target enzymes and receptors. This has led to its incorporation in numerous research projects aimed at identifying new therapeutic agents for treating various diseases.

Recent advancements in computational chemistry and molecular modeling have further highlighted the potential of Tert-butyl N-(4-oxocyclohexyl)carbamate as a versatile building block. These computational studies have demonstrated that the compound can be effectively utilized to modulate biological pathways by interacting with specific protein targets. For instance, modifications to the tert-butyl N-(4-oxocyclohexyl)carbamate structure have shown promise in inhibiting enzymes involved in inflammatory responses, making it a promising candidate for developing anti-inflammatory drugs. Additionally, its stability under various chemical conditions makes it an ideal candidate for further derivatization, allowing researchers to fine-tune its properties for specific applications.

The synthesis of Tert-butyl N-(4-oxocyclohexyl)carbamate involves multi-step organic reactions that showcase the expertise of modern synthetic chemists. The process typically begins with the preparation of a 4-oxocyclohexanone derivative, which is then reacted with an appropriate carbamate precursor in the presence of a catalytic system. The tert-butyl group, introduced during this process, enhances the compound's metabolic stability and bioavailability, making it more suitable for pharmaceutical use. This synthetic route has been optimized to ensure high yields and purity, which are critical factors in pharmaceutical manufacturing.

One of the most compelling aspects of Tert-butyl N-(4-oxocyclohexyl)carbamate is its potential in drug discovery programs targeting neurological disorders. Preliminary studies have indicated that derivatives of this compound exhibit neuroprotective properties by modulating key signaling pathways involved in neurodegeneration. The cyclohexane ring's conformational flexibility allows for precise interactions with biological targets, while the carbamate group provides a site for further functionalization. These characteristics make Tert-butyl N-(4-oxocyclohexyl)carbamate a valuable asset in libraries designed for high-throughput screening (HTS) campaigns aimed at identifying novel drug candidates.

The safety profile of Tert-butyl N-(4-oxocyclohexyl)carbamate has also been thoroughly evaluated through rigorous toxicological studies. These studies have demonstrated that the compound exhibits low toxicity at relevant concentrations, suggesting its potential as a safe pharmacological agent. Furthermore, its biodegradability and environmental compatibility align with current trends toward sustainable chemistry practices. This makes Tert-butyl N-(4-oxocyclohexyl)carbamate not only a scientifically promising compound but also an environmentally responsible choice for pharmaceutical applications.

In conclusion, the compound with CAS number 179321-49-4, known as Tert-butyl N-(4-oxocyclohexyl)carbamate, represents a significant contribution to pharmaceutical chemistry. Its unique structural features, synthetic accessibility, and potential biological activities make it a compelling candidate for further research and development. As advancements continue to be made in drug discovery technologies, compounds like Tert-butyl N-(4-oxocyclohexyl)carbamate are poised to play a crucial role in developing innovative therapies that address unmet medical needs.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:179321-49-4)N-Boc-氨基-4-環(huán)己酮
LE2753018
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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