Cas no 13105-53-8 (Carbamic acid, butyl-, phenylmethyl ester)

Carbamic acid, butyl-, phenylmethyl ester, also known as butyl benzyl carbamate, is a carbamate ester compound with applications in organic synthesis and specialty chemical formulations. Its structure combines a butyl group and a benzyl ester moiety, offering reactivity useful in urethane chemistry and intermediate synthesis. The compound's stability and controlled reactivity make it suitable for use in polymer modification and as a protecting group in peptide synthesis. Its balanced lipophilicity and hydrolytic stability allow for tailored applications in research and industrial processes. The ester's purity and consistent performance are critical for reproducible results in synthetic workflows.
Carbamic acid, butyl-, phenylmethyl ester structure
13105-53-8 structure
Product Name:Carbamic acid, butyl-, phenylmethyl ester
CAS No:13105-53-8
MF:C12H17NO2
MW:207.268883466721
MDL:MFCD00158472
CID:1227539
PubChem ID:4410025
Update Time:2025-10-22

Carbamic acid, butyl-, phenylmethyl ester Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, butyl-, phenylmethyl ester
    • benzyl N-butylcarbamate
    • Benzyl butylcarbamate
    • CS-0160335
    • SB77436
    • DTXSID40402963
    • SCHEMBL1667805
    • MFCD00158472
    • 13105-53-8
    • C72236
    • AKOS024340201
    • benzylbutylcarbamate
    • DS-11146
    • cbz-butylamine
    • MDL: MFCD00158472
    • Inchi: 1S/C12H17NO2/c1-2-3-9-13-12(14)15-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,13,14)
    • InChI Key: VQJDBGSINGXXEB-UHFFFAOYSA-N
    • SMILES: O(C(NCCCC)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 207.12601
  • Monoisotopic Mass: 207.125928785g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 6
  • Complexity: 177
  • 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: 2.7
  • Topological Polar Surface Area: 38.3?2

Experimental Properties

  • PSA: 38.33

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Additional information on Carbamic acid, butyl-, phenylmethyl ester

Carbamic Acid, Butyl-, Phenylmethyl Ester (CAS No. 13105-53-8)

Carbamic acid, butyl-, phenylmethyl ester, also known by its CAS number 13105-53-8, is a versatile organic compound with significant applications in various industries. This compound is a derivative of carbamic acid, where the hydroxyl group is replaced by an ester group formed from phenylmethyl alcohol and butanol. Its molecular structure consists of a central carbamate group (-O-CO-NH-) attached to a phenylmethyl (benzyl) group and a butyl group, making it a valuable intermediate in the synthesis of advanced materials and pharmaceuticals.

The synthesis of carbamic acid, butyl-, phenylmethyl ester typically involves the reaction of carbamic acid derivatives with appropriate alcohols under controlled conditions. This process often employs catalytic agents to enhance reaction efficiency and selectivity. Recent studies have explored the use of green chemistry principles to optimize the synthesis pathway, reducing environmental impact while maintaining product quality.

In terms of physical properties, this compound exhibits a melting point of approximately 45°C and a boiling point around 280°C under standard atmospheric pressure. It is slightly soluble in water but highly soluble in organic solvents such as dichloromethane and ethyl acetate, which facilitates its use in various chemical processes.

Carbamic acid, butyl-, phenylmethyl ester is widely recognized for its role as an intermediate in the production of polyurethanes and other high-performance polymers. Its ability to undergo nucleophilic acyl substitution reactions makes it an ideal building block for constructing complex molecular architectures. Recent advancements in polymer science have leveraged this compound to develop lightweight, high-strength materials for aerospace and automotive industries.

Beyond polymer applications, this compound finds utility in the pharmaceutical sector as an intermediate in drug synthesis. Its unique reactivity allows for the formation of bioactive molecules with potential therapeutic applications in oncology and neurodegenerative diseases. Researchers have recently reported its use in the development of targeted drug delivery systems, enhancing efficacy while minimizing side effects.

In agricultural applications, carbamic acid, butyl-, phenylmethyl ester serves as a precursor for agrochemicals designed to improve crop yield and pest resistance. Its role in the synthesis of herbicides and insecticides has been extensively studied, with recent breakthroughs focusing on eco-friendly formulations that reduce environmental toxicity.

The demand for CAS No. 13105-53-8 continues to grow due to its adaptability across multiple industries. Ongoing research aims to explore new synthetic pathways and application areas, further solidifying its position as a key player in modern chemistry.

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