Cas no 115951-16-1 (1-(Boc-amino)cyclohexanecarboxylic acid)

1-(Boc-amino)cyclohexanecarboxylic acid is a protected amino acid derivative widely used in peptide synthesis and medicinal chemistry. The tert-butoxycarbonyl (Boc) group serves as a robust protecting group for the amine functionality, enabling selective deprotection under mild acidic conditions. Its cyclohexane backbone provides conformational rigidity, which can enhance the stability and bioavailability of peptide-based compounds. This compound is particularly valuable in the synthesis of complex molecules, offering high purity and compatibility with standard coupling reagents. Its versatility makes it a preferred choice for researchers developing peptidomimetics, prodrugs, and other bioactive intermediates. Proper handling and storage under anhydrous conditions are recommended to maintain its integrity.
1-(Boc-amino)cyclohexanecarboxylic acid structure
115951-16-1 structure
Product Name:1-(Boc-amino)cyclohexanecarboxylic acid
CAS No:115951-16-1
MF:C12H21NO4
MW:243.29944396019
MDL:MFCD00273427
CID:138525
PubChem ID:2794744
Update Time:2025-06-28

1-(Boc-amino)cyclohexanecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(Boc-amino)cyclohexanecarboxylic acid
    • Boc-1-aminocyclohexane-1-carboxylic acid
    • Boc-1-aminocyclohexanecarboxylic acid
    • Cyclohexanecarboxylicacid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-
    • 1-[(tert-Butoxycarbonyl)aMino]cyclohexanecarboxylic acid
    • 1-TERT-BUTOXYCARBONYLAMINO-CYCLOHEXANECARBOXYLIC ACID
    • BOC-NH(1)CHEX-OH
    • RARECHEM EM WB 0029
    • BOC-CYCLOHOMOLEUCINE
    • BOC-HOMOCYCLOLEUCINE
    • N-BOC-AMINOCYCLOHEXYLCARBOXYLIC ACID
    • BOC-1-AMINO-1-CYCLOHEXANE CARBOXYLIC ACID
    • 1-BOC-AMINO-CYCLOHEXANE-1-CARBOXYLIC ACID
    • 1-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid
    • 1-(tert-butoxycarbonylamino)cyclohexanecarboxylic acid
    • 1-(Boc-amino)cyclohexanecarboxylicAcid
    • 1-[(tert-butoxycarbonyl)amino]cyclohexane-1-carboxylic acid
    • Cyclohexanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-
    • 1-((tert-Butoxycarbonyl)ami
    • 1-((tert-Butoxycarbonyl)amino)cyclohexanecarboxylic acid
    • Boc-homoc
    • MDL: MFCD00273427
    • Inchi: 1S/C12H21NO4/c1-11(2,3)17-10(16)13-12(9(14)15)7-5-4-6-8-12/h4-8H2,1-3H3,(H,13,16)(H,14,15)
    • InChI Key: URBHKVWOYIMKNO-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(NC1(C(=O)O)CCCCC1)=O

Computed Properties

  • Exact Mass: 243.14700
  • Monoisotopic Mass: 243.147
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 300
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 2.1
  • Topological Polar Surface Area: 75.6

Experimental Properties

  • Color/Form: White powder
  • Density: 1.13
  • Melting Point: 176-178?°C (dec.)
  • Boiling Point: 391.2℃ at 760 mmHg
  • Flash Point: 190.4℃
  • Refractive Index: 1.496
  • PSA: 75.63000
  • LogP: 2.68950
  • Solubility: Not determined

1-(Boc-amino)cyclohexanecarboxylic acid Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • HazardClass:IRRITANT
  • Storage Condition:Store at 0 ° C

1-(Boc-amino)cyclohexanecarboxylic acid 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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1-(Boc-amino)cyclohexanecarboxylic acid Production Method

Additional information on 1-(Boc-amino)cyclohexanecarboxylic acid

Introduction to Compound CAS No. 115951-16-1: 1-(Boc-amino)cyclohexanecarboxylic Acid

Compound CAS No. 115951-16-1, also known as 1-(Boc-amino)cyclohexanecarboxylic acid, is a significant molecule in the field of organic chemistry and drug discovery. This compound has garnered attention due to its unique structure and potential applications in various scientific domains. The molecule consists of a cyclohexane ring with a carboxylic acid group and a Boc-amino substituent, making it a versatile building block for further chemical modifications.

The Boc-amino group, short for tert-butoxycarbonyl amino, is a protecting group commonly used in peptide synthesis to prevent unwanted side reactions during the synthesis process. The presence of this group in cyclohexanecarboxylic acid derivatives enhances their stability and functionality, making them valuable intermediates in the development of bioactive compounds.

Recent studies have highlighted the importance of cyclohexanecarboxylic acid derivatives in medicinal chemistry, particularly in the design of new drug candidates with improved pharmacokinetic profiles. The integration of the Boc-amino group into this structure has been shown to enhance solubility and bioavailability, which are critical factors in drug development.

Moreover, the cyclohexane ring provides structural rigidity and flexibility, enabling the molecule to interact with various biological targets. This property has been exploited in the design of inhibitors for enzymes and receptors involved in diseases such as cancer, inflammation, and neurodegenerative disorders.

The synthesis of Compound CAS No. 115951-16-1 involves multi-step processes that require precise control over reaction conditions to ensure high yields and purity. Researchers have developed efficient methodologies to synthesize this compound, including microwave-assisted synthesis and catalytic cross-coupling reactions.

In terms of applications, Compound CAS No. 115951-16-1 has been utilized as a key intermediate in the construction of complex molecules with therapeutic potential. Its role as a precursor in peptide synthesis has been particularly noteworthy, as it allows for the incorporation of functional groups that can modulate biological activity.

Recent advancements in computational chemistry have also contributed to our understanding of the properties of Compound CAS No. 115951-16-1. Molecular modeling studies have provided insights into its conformational flexibility and interactions with biological systems, paving the way for rational drug design.

In conclusion, Compound CAS No. 11595

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