Cas no 760958-17-6 (N-(trans-4-Methoxycyclohexyl)carbamic Acid 1,1-Dimethylethyl Ester)

N-(trans-4-Methoxycyclohexyl)carbamic Acid 1,1-Dimethylethyl Ester is a protected carbamate derivative featuring a trans-4-methoxycyclohexyl group. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of pharmacologically active molecules. The tert-butyloxycarbonyl (Boc) protecting group enhances stability, facilitating handling and storage under standard conditions. The trans-configuration of the methoxycyclohexyl moiety contributes to defined stereochemistry, which is critical for applications in chiral synthesis. Its structural features make it suitable for use in peptide coupling reactions and as a building block in medicinal chemistry. The compound exhibits good solubility in common organic solvents, ensuring versatility in synthetic workflows.
N-(trans-4-Methoxycyclohexyl)carbamic Acid 1,1-Dimethylethyl Ester structure
760958-17-6 structure
Product Name:N-(trans-4-Methoxycyclohexyl)carbamic Acid 1,1-Dimethylethyl Ester
CAS No:760958-17-6
MF:C12H23NO3
MW:229.315923929214
MDL:MFCD18252820
CID:4175922
PubChem ID:58662066
Update Time:2025-06-14

N-(trans-4-Methoxycyclohexyl)carbamic Acid 1,1-Dimethylethyl Ester Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, (trans-4-methoxycyclohexyl)-, 1,1-dimethylethyl ester
    • tert-butyl (trans-4-methoxycyclohexyl)carbamate
    • tert-butyl ((1r,4r)-4-methoxycyclohexyl)carbamate
    • Carbamic acid, N-(trans-4-methoxycyclohexyl)-, 1,1-dimethylethyl ester
    • trans-(tert-butoxy)-n-(4-methoxycyclohexyl)carboxamide
    • SCHEMBL14175254
    • N - (cis 4-methoxycyclohexyl) carbamate tert butyl ester
    • 1425334-93-5
    • 760958-17-6
    • tert-butyl (4-methoxycyclohexyl)carbamate
    • N-(trans-4-Methoxycyclohexyl)carbamicAcid1,1-DimethylethylEster
    • MFCD23378743
    • N-(trans-4-methoxycyclohexyl)Carbamic acid 1,1-dimethylethyl ester
    • ZYYXGYAWMJJYHY-MGCOHNPYSA-N
    • MFCD18252820
    • tert-butyl N-(4-methoxycyclohexyl)carbamate
    • Carbamic acid, N-(cis-4-methoxycyclohexyl)-, 1,1-dimethylethyl ester
    • CIS-TERT-BUTYL 4-METHOXYCYCLOHEXYLCARBAMATE
    • tert-butyl 4-methoxycyclohexylcarbamate
    • tert-butyl(trans-4-methoxycyclohexyl)carbamate
    • SCHEMBL7936513
    • SCHEMBL23684164
    • trans-tert-Butyl 4-methoxycyclohexylcarbamate
    • G79719
    • G80101
    • DB-130314
    • t-Butyl 4-methoxycyclohexylcarbamate
    • AKOS025117596
    • 1854974-17-6
    • D84443
    • N-(trans-4-Methoxycyclohexyl)carbamic Acid 1,1-Dimethylethyl Ester
    • MDL: MFCD18252820
    • Inchi: 1S/C12H23NO3/c1-12(2,3)16-11(14)13-9-5-7-10(15-4)8-6-9/h9-10H,5-8H2,1-4H3,(H,13,14)/t9-,10-
    • InChI Key: ZYYXGYAWMJJYHY-MGCOHNPYSA-N
    • SMILES: C(OC(C)(C)C)(=O)N[C@@H]1CC[C@@H](OC)CC1

Computed Properties

  • Exact Mass: 229.16779360Da
  • Monoisotopic Mass: 229.16779360Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 227
  • 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
  • XLogP3: 2.1
  • Topological Polar Surface Area: 47.6?2

N-(trans-4-Methoxycyclohexyl)carbamic Acid 1,1-Dimethylethyl Ester Pricemore >>

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Additional information on N-(trans-4-Methoxycyclohexyl)carbamic Acid 1,1-Dimethylethyl Ester

Comprehensive Overview of N-(trans-4-Methoxycyclohexyl)carbamic Acid 1,1-Dimethylethyl Ester (CAS No. 760958-17-6)

N-(trans-4-Methoxycyclohexyl)carbamic Acid 1,1-Dimethylethyl Ester (CAS No. 760958-17-6) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research. This ester derivative, characterized by its trans-4-methoxycyclohexyl and tert-butyl moieties, is widely utilized in the synthesis of bioactive molecules. Its unique structural features make it a valuable intermediate in drug discovery, particularly in the development of kinase inhibitors and central nervous system (CNS) therapeutics.

The compound's carbamate functionality and methoxycyclohexyl group contribute to its stability and solubility, which are critical for optimizing pharmacokinetic properties. Researchers are increasingly exploring its potential in targeted drug delivery systems, a hot topic in modern medicine. With the rise of personalized medicine and AI-driven drug design, CAS No. 760958-17-6 has become a subject of interest for computational chemists and medicinal chemists alike.

In recent years, the demand for high-purity intermediates like N-(trans-4-Methoxycyclohexyl)carbamic Acid 1,1-Dimethylethyl Ester has surged due to advancements in high-throughput screening (HTS) and combinatorial chemistry. Its role in the synthesis of proteolysis-targeting chimeras (PROTACs) has also been highlighted, aligning with the growing focus on degradation-based therapeutics. This compound's versatility underscores its importance in cutting-edge research.

From a synthetic perspective, CAS No. 760958-17-6 is often prepared via carbamate coupling reactions involving trans-4-methoxycyclohexylamine and di-tert-butyl dicarbonate. The reaction conditions are meticulously optimized to ensure high yield and purity, which are essential for downstream applications. Analytical techniques such as HPLC, NMR, and mass spectrometry are routinely employed to validate the compound's identity and quality.

The compound's relevance extends to green chemistry initiatives, where researchers aim to minimize waste and improve sustainability. Its efficient synthesis and potential for catalytic recycling align with the principles of environmentally friendly chemical processes. As the pharmaceutical industry shifts toward sustainable practices, N-(trans-4-Methoxycyclohexyl)carbamic Acid 1,1-Dimethylethyl Ester exemplifies how intermediates can contribute to greener drug development.

In conclusion, N-(trans-4-Methoxycyclohexyl)carbamic Acid 1,1-Dimethylethyl Ester (CAS No. 760958-17-6) is a pivotal compound in modern chemical and pharmaceutical research. Its applications span drug discovery, bioconjugation, and material science, making it a versatile tool for scientists. As the field evolves, this compound will likely play an even greater role in addressing challenges related to drug efficacy and sustainability.

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