Cas no 2387920-49-0 (Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate)

Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate is a cyclohexane derivative featuring both an amino and a tert-butyl ester functional group. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and fine chemicals. The tert-butyl ester group enhances stability and facilitates selective deprotection under mild acidic conditions, while the amino group provides a reactive site for further functionalization. Its rigid cyclohexane backbone contributes to stereochemical control in synthetic pathways. The compound’s well-defined structure and functional group compatibility make it useful for constructing complex molecules, particularly in medicinal chemistry and peptide modifications. Proper handling under inert conditions is recommended to preserve reactivity.
Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate structure
2387920-49-0 structure
Product Name:Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
CAS No:2387920-49-0
MF:C12H23NO2
MW:213.316523790359
MDL:MFCD33031741
CID:5656488
PubChem ID:155943276
Update Time:2025-10-30

Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 2387920-49-0
    • SCHEMBL23223910
    • tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
    • EN300-27734990
    • Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
    • MDL: MFCD33031741
    • Inchi: 1S/C12H23NO2/c1-11(2,3)15-10(14)9-5-7-12(4,13)8-6-9/h9H,5-8,13H2,1-4H3
    • InChI Key: VESCBHIAWUVEFQ-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(C1CCC(C)(CC1)N)=O

Computed Properties

  • Exact Mass: 213.172878976g/mol
  • Monoisotopic Mass: 213.172878976g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 235
  • 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: 1.6
  • Topological Polar Surface Area: 52.3?2

Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-27734990-1g
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
2387920-49-0
1g
$1100.0 2023-09-10
Enamine
EN300-27734990-5g
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
2387920-49-0
5g
$3189.0 2023-09-10
Enamine
EN300-27734990-10g
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
2387920-49-0
10g
$4729.0 2023-09-10
Enamine
EN300-27734990-0.05g
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
2387920-49-0 95.0%
0.05g
$924.0 2025-03-19
Enamine
EN300-27734990-0.1g
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
2387920-49-0 95.0%
0.1g
$968.0 2025-03-19
Enamine
EN300-27734990-0.25g
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
2387920-49-0 95.0%
0.25g
$1012.0 2025-03-19
Enamine
EN300-27734990-0.5g
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
2387920-49-0 95.0%
0.5g
$1056.0 2025-03-19
Enamine
EN300-27734990-1.0g
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
2387920-49-0 95.0%
1.0g
$1100.0 2025-03-19
Enamine
EN300-27734990-2.5g
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
2387920-49-0 95.0%
2.5g
$2155.0 2025-03-19
Enamine
EN300-27734990-5.0g
tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate
2387920-49-0 95.0%
5.0g
$3189.0 2025-03-19

Additional information on Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate

Comprehensive Overview of Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate (CAS No. 2387920-49-0)

Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate (CAS No. 2387920-49-0) is a specialized organic compound widely utilized in pharmaceutical research, agrochemical development, and advanced material synthesis. Its unique structural features, including the tert-butyl ester and 4-amino-4-methylcyclohexane backbone, make it a versatile intermediate for designing bioactive molecules. Researchers and industries value this compound for its stability, solubility, and compatibility with diverse reaction conditions, aligning with the growing demand for high-purity intermediates in drug discovery pipelines.

In recent years, the compound has garnered attention due to its potential applications in central nervous system (CNS) drug development, a hot topic in medicinal chemistry. With increasing searches for "novel cyclohexane derivatives" and "sterically hindered amines in catalysis," this compound addresses key industry needs. Its CAS No. 2387920-49-0 frequently appears in patent literature, particularly in contexts involving chiral synthesis and prodrug formulations, reflecting its relevance in cutting-edge research.

The synthesis of Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate typically involves multi-step protocols, including Boc protection strategies and selective hydrogenation. Analytical techniques like HPLC and NMR are critical for verifying its purity, a concern frequently raised in forum discussions about "quality control for pharmaceutical intermediates." The compound’s logP value and hydrogen-bonding capacity also make it a subject of interest in QSAR studies, a trending area in computational chemistry.

From an industrial perspective, scalability remains a key focus. Searches for "cost-effective Boc-amine synthesis" highlight the need for optimized production methods. The tert-butyl group in this compound offers advantages in protecting group chemistry, a technique widely discussed in organic chemistry communities. Furthermore, its potential role in biodegradable polymer modifiers aligns with sustainability trends, answering queries about "eco-friendly cyclohexane derivatives."

Regulatory compliance is another critical aspect. While not classified as hazardous, proper handling of CAS No. 2387920-49-0 follows standard laboratory safety protocols. The compound’s MSDS data is often requested, emphasizing the industry’s commitment to safety—a recurring theme in "best practices for chemical handling" searches. Its stability under ambient conditions makes it preferable for long-term storage, addressing logistical concerns in global supply chains.

Innovative applications continue to emerge. Recent publications explore its use in metal-organic frameworks (MOFs) and asymmetric catalysis, responding to the surge in searches for "multifunctional cyclohexane scaffolds." The 4-methyl substitution introduces steric effects that are valuable in enantioselective reactions, a focal point in synthetic methodology development. Such features position this compound as a candidate for green chemistry initiatives, another trending topic in scientific discourse.

In conclusion, Tert-butyl 4-amino-4-methylcyclohexane-1-carboxylate (CAS No. 2387920-49-0) represents a convergence of synthetic utility and research potential. Its alignment with current interests in drug discovery, sustainable chemistry, and advanced materials ensures its continued relevance. As analytical techniques and synthetic strategies evolve, this compound will likely remain a subject of both academic and industrial exploration.

Recommended suppliers
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd