Cas no 1341536-23-9 (tert-butyl N-(3-cyanophenyl)methyl-N-methylcarbamate)

Tert-butyl N-(3-cyanophenyl)methyl-N-methylcarbamate is a carbamate-based compound featuring a tert-butyloxycarbonyl (Boc) protecting group and a 3-cyanophenyl substituent. This intermediate is particularly valuable in organic synthesis, especially in peptide chemistry and pharmaceutical research, where the Boc group serves as a temporary amine protector under mild acidic conditions. The presence of the cyano group enhances reactivity for further functionalization, making it useful in constructing complex molecular architectures. Its stability under basic conditions and compatibility with a range of reagents make it a versatile building block. The compound is typically employed in controlled reactions requiring selective deprotection or targeted modifications.
tert-butyl N-(3-cyanophenyl)methyl-N-methylcarbamate structure
1341536-23-9 structure
Product Name:tert-butyl N-(3-cyanophenyl)methyl-N-methylcarbamate
CAS No:1341536-23-9
MF:C14H18N2O2
MW:246.304923534393
CID:1090850
PubChem ID:62968292
Update Time:2025-06-08

tert-butyl N-(3-cyanophenyl)methyl-N-methylcarbamate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 3-cyanobenzyl(methyl)carbamate
    • tert-butyl N-[(3-cyanophenyl)methyl]-N-methylcarbamate
    • tert-butyl N-(3-cyanophenyl)methyl-N-methylcarbamate
    • tert-Butyl3-cyanobenzyl(methyl)carbamate
    • tert-Butyl [(3-cyanophenyl)methyl]methylcarbamate
    • SCHEMBL320434
    • AKOS012266525
    • EN300-1705913
    • CS-0272780
    • Tert-butyl (3-cyanobenzyl)(methyl)carbamate
    • 1341536-23-9
    • DTXSID30734503
    • Inchi: 1S/C14H18N2O2/c1-14(2,3)18-13(17)16(4)10-12-7-5-6-11(8-12)9-15/h5-8H,10H2,1-4H3
    • InChI Key: FNXIQPCOZHMBES-UHFFFAOYSA-N
    • SMILES: O(C(N(C)CC1C=CC=C(C#N)C=1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 246.136827821g/mol
  • Monoisotopic Mass: 246.136827821g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 337
  • 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: 2.3
  • Topological Polar Surface Area: 53.3?2

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Additional information on tert-butyl N-(3-cyanophenyl)methyl-N-methylcarbamate

Comprehensive Overview of tert-butyl N-(3-cyanophenyl)methyl-N-methylcarbamate (CAS No. 1341536-23-9): Properties, Applications, and Industry Insights

The chemical compound tert-butyl N-(3-cyanophenyl)methyl-N-methylcarbamate (CAS No. 1341536-23-9) is a specialized organic molecule with significant relevance in pharmaceutical and agrochemical research. Its unique structure, featuring a tert-butyl group, a cyanophenyl moiety, and a methylcarbamate functional group, makes it a versatile intermediate in synthetic chemistry. This article delves into its properties, synthesis, applications, and answers frequently asked questions to address the growing interest in this compound among researchers and industry professionals.

One of the key features of tert-butyl N-(3-cyanophenyl)methyl-N-methylcarbamate is its role as a building block in drug discovery. The presence of the cyano group (-CN) enhances its reactivity, enabling its use in the synthesis of heterocyclic compounds, which are pivotal in developing active pharmaceutical ingredients (APIs). Recent studies highlight its potential in creating kinase inhibitors, a hot topic in oncology research due to their ability to target cancer cell signaling pathways. This aligns with the increasing demand for precision medicine and targeted therapies in the pharmaceutical industry.

In agrochemical applications, tert-butyl N-(3-cyanophenyl)methyl-N-methylcarbamate has garnered attention for its utility in designing crop protection agents. Its molecular framework allows for modifications that can lead to novel pesticides or herbicides with improved efficacy and environmental safety. With the global push toward sustainable agriculture, researchers are exploring this compound’s potential to reduce the ecological footprint of agrochemicals while maintaining high productivity—a balance highly sought after in modern farming practices.

The synthesis of tert-butyl N-(3-cyanophenyl)methyl-N-methylcarbamate typically involves multi-step organic reactions, including carbamate formation and cyanation processes. Advanced techniques such as flow chemistry and catalysis are being employed to optimize its production, addressing the industry’s need for cost-effective and scalable manufacturing methods. These innovations are particularly relevant given the rising focus on green chemistry principles, which emphasize minimizing waste and energy consumption.

From a regulatory standpoint, tert-butyl N-(3-cyanophenyl)methyl-N-methylcarbamate is not classified as a hazardous substance under major global frameworks such as REACH or EPA. However, proper handling protocols are recommended to ensure safety during laboratory use. This aspect is critical for professionals searching for safe chemical intermediates or non-toxic reagents for their workflows.

Frequently asked questions about this compound include its solubility (it is soluble in common organic solvents like DMSO and methanol), storage conditions (recommended at 2–8°C under inert atmosphere), and commercial availability (it is supplied by several specialty chemical vendors). These details are often sought by researchers planning experiments or scaling up processes.

In conclusion, tert-butyl N-(3-cyanophenyl)methyl-N-methylcarbamate (CAS No. 1341536-23-9) represents a valuable tool in both pharmaceutical and agrochemical innovation. Its adaptability to modern synthetic challenges and alignment with trends like sustainability and targeted drug development underscore its importance. As industries continue to prioritize efficiency and eco-friendly solutions, this compound is poised to remain a focal point in advanced research and development.

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