Cas no 1222709-29-6 (tert-Butyl trans-3-acetylcyclohexylcarbamate)

Technical Introduction: tert-Butyl trans-3-acetylcyclohexylcarbamate is a specialized carbamate derivative featuring a trans-configured cyclohexyl ring with an acetyl substituent at the 3-position. This compound is valued for its structural rigidity and functional versatility, making it a useful intermediate in organic synthesis and pharmaceutical research. The tert-butyl carbamate group enhances stability, while the acetyl moiety offers reactivity for further derivatization. Its trans-configuration ensures consistent stereochemical outcomes in synthetic applications. The compound is particularly relevant in peptidomimetics and scaffold-based drug design, where its defined conformation contributes to precise molecular interactions. High purity and well-characterized properties ensure reliability in research and industrial settings.
tert-Butyl trans-3-acetylcyclohexylcarbamate structure
1222709-29-6 structure
Product Name:tert-Butyl trans-3-acetylcyclohexylcarbamate
CAS No:1222709-29-6
MF:C13H23NO3
MW:241.326624155045
CID:1069431
PubChem ID:71685860
Update Time:2025-11-02

tert-Butyl trans-3-acetylcyclohexylcarbamate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl trans-3-acetylcyclohexylcarbamate
    • A1-50293
    • DTXSID101180402
    • 1932133-81-7
    • rel-1,1-Dimethylethyl N-[(1R,3R)-3-acetylcyclohexyl]carbamate
    • rac-tert-butyl N-[(1R,3R)-3-acetylcyclohexyl]carbamate
    • 1222709-29-6
    • tert-butyl N-[(1R,3R)-3-acetylcyclohexyl]carbamate
    • tert-Butyltrans-3-acetylcyclohexylcarbamate
    • EN300-796444
    • trans-1-Acetyl-3-(Boc-aMino)cyclohexane, 97%
    • MDL: MFCD12022635
    • Inchi: 1S/C13H23NO3/c1-9(15)10-6-5-7-11(8-10)14-12(16)17-13(2,3)4/h10-11H,5-8H2,1-4H3,(H,14,16)/t10-,11-/m1/s1
    • InChI Key: PXOCBLMTJDGHKK-GHMZBOCLSA-N
    • SMILES: O(C(C)(C)C)C(N[C@@H]1CCC[C@@H](C(C)=O)C1)=O

Computed Properties

  • Exact Mass: 241.16779360g/mol
  • Monoisotopic Mass: 241.16779360g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 294
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 55.4?2

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 354.7±31.0 °C at 760 mmHg
  • Flash Point: 168.3±24.8 °C
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

tert-Butyl trans-3-acetylcyclohexylcarbamate Security Information

tert-Butyl trans-3-acetylcyclohexylcarbamate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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Additional information on tert-Butyl trans-3-acetylcyclohexylcarbamate

Comprehensive Guide to tert-Butyl trans-3-acetylcyclohexylcarbamate (CAS No. 1222709-29-6): Properties, Applications, and Market Insights

tert-Butyl trans-3-acetylcyclohexylcarbamate (CAS No. 1222709-29-6) is a specialized organic compound widely used in pharmaceutical and agrochemical research. This carbamate derivative features a tert-butyl group and an acetylcyclohexyl moiety, making it a valuable intermediate for synthesizing bioactive molecules. Researchers often search for "tert-Butyl trans-3-acetylcyclohexylcarbamate uses" or "CAS 1222709-29-6 suppliers," reflecting its growing demand in drug discovery.

The compound’s molecular structure contributes to its unique stereochemical properties, which are critical for enantioselective synthesis. Its trans-3-acetylcyclohexyl configuration enhances stability, while the carbamate group offers reactivity for further functionalization. Recent studies highlight its role in developing kinase inhibitors and G-protein-coupled receptor (GPCR) modulators, aligning with trends in precision medicine.

In agrochemical applications, tert-Butyl trans-3-acetylcyclohexylcarbamate serves as a precursor for plant growth regulators. Its efficacy in modulating metabolic pathways has spurred interest in sustainable agriculture, addressing queries like "eco-friendly carbamate derivatives." The compound’s low toxicity profile further supports its adoption in green chemistry initiatives.

The market for CAS 1222709-29-6 is expanding, driven by R&D investments in small-molecule therapeutics. Analysts note increased procurement from contract research organizations (CROs) and universities exploring "tert-Butyl carbamate building blocks." Regulatory compliance, such as REACH and FDA guidelines, ensures its safe handling in industrial settings.

For synthetic chemists, optimizing the yield of tert-Butyl trans-3-acetylcyclohexylcarbamate involves Pd-catalyzed coupling or enzymatic resolution techniques. Peer-reviewed journals frequently cite its utility in asymmetric synthesis, resonating with searches for "chiral auxiliaries in organic chemistry."

Storage recommendations include inert atmospheres and low temperatures to preserve the compound’s integrity. Suppliers often provide technical data sheets detailing its solubility in organic solvents and melting point, key for lab-scale applications.

Future prospects for 1222709-29-6 include potential roles in bioconjugation and prodrug development, topics trending in biopharma forums. Its versatility underscores its relevance in answering search queries like "advanced intermediates for drug synthesis."

In summary, tert-Butyl trans-3-acetylcyclohexylcarbamate exemplifies innovation in fine chemicals, bridging academic research and industrial applications. Its multifaceted uses and alignment with AI-driven drug design trends position it as a compound of enduring significance.

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