Cas no 118786-13-3 (rac-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis)

Technical Introduction: rac-tert-Butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride is a cis-configured cyclohexane derivative featuring both an amine and a tert-butyl ester functional group. The stereochemistry of the compound, with its fixed cis orientation, ensures consistent reactivity and selectivity in synthetic applications, particularly in chiral synthesis and pharmaceutical intermediates. The tert-butyl ester group enhances stability under various reaction conditions, while the hydrochloride salt improves solubility and handling. This compound is valuable for constructing rigid, stereodefined frameworks in medicinal chemistry and asymmetric synthesis. Its well-defined structure and functional group compatibility make it a versatile building block for complex molecule development.
rac-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis structure
118786-13-3 structure
Product Name:rac-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis
CAS No:118786-13-3
MF:C11H22ClNO2
MW:235.75088262558
MDL:MFCD31629459
CID:4576398
PubChem ID:67858082
Update Time:2025-11-02

rac-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis Chemical and Physical Properties

Names and Identifiers

    • cis-4-Amino-cyclohexanecarboxylic acid tert-butyl ester hydrochloride
    • tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis
    • cis-tert-Butyl-4-aminocyclohexane-1-carboxylate hydrochloride
    • rac-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis
    • G79405
    • tert-Butyl 4-Amino-cyclohexanecarboxylate HCl
    • CS-0047865
    • Z2681267720
    • tert-Butyl cis-4-Amino-cyclohexanecarboxylate HCl
    • 1956389-81-3
    • AKOS027393776
    • tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride
    • PB41658
    • tert-Butyl 4-aminocyclohexane-1-carboxylate hydrochloride
    • Rel-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride
    • SCHEMBL9469820
    • P17127
    • starbld0014419
    • AS-53795
    • tert-butyl trans-4-aminocyclohexane-1-carboxylate hydrochloride
    • TERT-BUTYL CIS-4-AMINOCYCLOHEXANE-1-CARBOXYLATE HYDROCHLORIDE
    • 118786-13-3
    • trans-tert-Butyl 4-aminocyclohexanecarboxylate hydrochloride
    • 2640552-41-4
    • EN300-1708771
    • tert-butyl trans-4-aminocyclohexane-1-carboxylate hcl
    • trans-1-Boc-4-aminocyclohexane HCl
    • SCHEMBL9469827
    • EN300-1692396
    • cis-tert-Butyl-4-aminocyclohexane-1-carboxylatehydrochloride
    • tert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride
    • TERT-BUTYL (1R,4R)-4-AMINOCYCLOHEXANE-1-CARBOXYLATE HYDROCHLORIDE
    • MDL: MFCD31629459
    • Inchi: 1S/C11H21NO2.ClH/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8;/h8-9H,4-7,12H2,1-3H3;1H/t8-,9+;
    • InChI Key: LIXGZKPKSLVZRP-UFIFRZAQSA-N
    • SMILES: C([C@@H]1CC[C@H](N)CC1)(=O)OC(C)(C)C.Cl

Computed Properties

  • Exact Mass: 235.1339066g/mol
  • Monoisotopic Mass: 235.1339066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 200
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.3?2

rac-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis Pricemore >>

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Additional information on rac-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis

Comprehensive Overview of rac-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis (CAS No. 118786-13-3)

The compound rac-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis (CAS No. 118786-13-3) is a chiral intermediate widely used in pharmaceutical synthesis and organic chemistry research. Its unique structural features, including the tert-butyl ester and cis-aminocyclohexane moieties, make it a valuable building block for drug discovery and development. With the growing demand for enantiomerically pure compounds in the pharmaceutical industry, this intermediate has gained significant attention for its role in synthesizing bioactive molecules.

One of the key advantages of rac-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis is its stability under various reaction conditions, which makes it suitable for multi-step synthetic routes. Researchers often utilize this compound in the preparation of chiral amines and cyclohexane derivatives, which are essential scaffolds in many therapeutic agents. Recent studies have highlighted its potential in developing CNS-targeting drugs and GPCR modulators, aligning with current trends in neuroscience and precision medicine.

The synthesis of rac-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis typically involves the resolution of racemic mixtures or asymmetric hydrogenation techniques. Advanced purification methods, such as chiral chromatography and recrystallization, ensure high enantiomeric purity, meeting the stringent requirements of pharmaceutical applications. The hydrochloride salt form enhances its solubility and handling properties, making it a preferred choice for laboratory and industrial use.

In the context of green chemistry and sustainable synthesis, researchers are exploring eco-friendly approaches to produce rac-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis. Catalytic methods using biocatalysts and metal-free conditions are gaining traction, addressing the growing emphasis on reducing environmental impact. These innovations align with the pharmaceutical industry's shift toward greener processes and circular economy principles.

From a market perspective, the demand for rac-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis is driven by its applications in small-molecule drug development and peptide mimetics. The rise of targeted therapies and personalized medicine has further amplified its importance, as researchers seek versatile intermediates for novel drug candidates. Analytical techniques like HPLC and NMR are routinely employed to characterize this compound, ensuring compliance with regulatory standards.

For researchers and manufacturers, sourcing high-quality rac-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis is critical. Reputable suppliers provide detailed certificates of analysis (CoA) and technical data sheets, facilitating seamless integration into synthetic workflows. Storage recommendations typically include cool, dry conditions to maintain stability, with precautions to avoid moisture exposure.

Looking ahead, the versatility of rac-tert-butyl (1s,4s)-4-aminocyclohexane-1-carboxylate hydrochloride, cis positions it as a key player in advancing medicinal chemistry and drug discovery. Its compatibility with diverse synthetic strategies and potential for structural modifications make it a valuable asset for tackling unmet medical needs. As the pharmaceutical landscape evolves, this compound is poised to remain at the forefront of innovation.

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