Methyl cyclohexylcarbamate

Base Information

• Chemical Name: Methyl cyclohexylcarbamate
• CAS No.: 5817-68-5
• Molecular Formula: C8H15NO2
• Molecular Weight: 157.213
• NSC Number: 123057
• DSSTox Substance ID: DTXSID50206898
• Nikkaji Number: J555.789E
• Wikidata: Q83080768
• Mol file: 5817-68-5.mol

Synonyms:Methyl cyclohexylcarbamate;methyl N-cyclohexylcarbamate;5817-68-5;Carbamic acid, cyclohexyl-, methyl ester;SCHEMBL1067515;DTXSID50206898;BUIPKGZDEMXJLW-UHFFFAOYSA-N;NSC123057;STK496613;AKOS003853311;N-cyclohexyl-carbamic acid methyl ester;NSC 123057;NSC-123057;F81220

Chemical Property of Methyl cyclohexylcarbamate

Chemical Property:

• Vapor Pressure: 0.0218mmHg at 25°C
• Boiling Point: 250.3°Cat760mmHg
• Flash Point: 105.2°C
• Density: 1.01g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 157.110278721
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)NC1CCCCC1

Technology Process of Methyl cyclohexylcarbamate

There total 55 articles about Methyl cyclohexylcarbamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

methanol (67-56-1) + Cyclohexyl isocyanate (3173-53-3) → cyclohexyl-carbamic acid methyl ester (5817-68-5)

Guidance literature:

With dibutyltin dilaurate; at 50 ℃; for 6h;

DOI:10.1055/s-0036-1588866

Reference yield: 97.0%

cyclohexylamine (108-91-8,157973-60-9) + carbonic acid dimethyl ester (616-38-6) → cyclohexyl-carbamic acid methyl ester (5817-68-5)

Guidance literature:

lipase from Candida antarctica; In toluene; at 70 ℃; for 60h;

Reference yield: 97.0%

tetramethylorthosilicate (681-84-5) + carbon dioxide (124-38-9,18923-20-1) + cyclohexylamine (108-91-8,157973-60-9) → cyclohexyl-carbamic acid methyl ester (5817-68-5)

Guidance literature:

With di(n-butyl)tin oxide; In toluene; at 135 ℃; under 52505.3 Torr; Glovebox; Autoclave;

DOI:10.1002/aoc.3733

upstream raw materials:

cyclohexylamine

methyl chloroformate

sodium methylate

cyclohexylcarboxamide

Downstream raw materials:

cyclohexyl(trimethylsilylmethyl)carbamic acid methyl ester

N-benzyl-N'-cyclohexylurea

N-cyclohexyl-N-(phenylethynyl)carbamic acid methyl ester

methanol

Refernces

• 1、 Chen, Ming-Yu,Choe, Yoong-Kee,Choi, Jun-Chul,Fukaya, Norihisa,Hamura, Satoshi,Koizumi, Hiroki,Matsumoto, Kazuhiro,Matsumoto, Seiji,Shigeyasu, Shinji,Takeuchi, Katsuhiko,Yuan, Hao-Yu. "N-Aryl and N-Alkyl Carbamates from 1 Atmosphere of CO2". supporting information. p. 18066 - 18073. Retrieved 2021/12/08.
• 2、 -. "Method for continuously synthesizing alicyclic carbamate". Paragraph 0028-0058. . Retrieved 2021/06/06.