Phenyl methylcarbamate

Base Information

• Chemical Name: Phenyl methylcarbamate
• CAS No.: 1943-79-9
• Molecular Formula: C8H9 N O2
• Molecular Weight: 151.165
• Hs Code.: 2924299090
• European Community (EC) Number: 815-597-0
• NSC Number: 128138
• UNII: 19U7Y0R088
• DSSTox Substance ID: DTXSID1073282
• Nikkaji Number: J42.803E
• Wikidata: Q27252134
• ChEMBL ID: CHEMBL2046815
• Mol file: 1943-79-9.mol

Synonyms:PHENYL METHYLCARBAMATE;1943-79-9;Phenyl N-methylcarbamate;Methylcarbamic acid phenyl ester;Phenmec;N-Methylphenylcarbamate;Phenyl monomethylcarbamate;Carbamic acid, methyl-, phenyl ester;Phenol, methylcarbamate;Phenyl-N-methylcarbamate;DRC 3345;Carbamic acid,N-methyl-, phenyl ester;Methyl carbamic acid phenyl ester;CCRIS 1835;HSDB 2598;methyl-carbamic acid phenyl ester;NSC 128138;BRN 2045075;AI3-33080;UNII-19U7Y0R088;19U7Y0R088;NSC-128138;Carbamic acid, N-methyl-, phenyl ester;4-06-00-00630 (Beilstein Handbook Reference);Phenylmethylcarbamate;phenyl(methyl)carbamate;WLN: 1MVOR;SCHEMBL78497;CHEMBL2046815;DTXSID1073282;BDBM50004688;MFCD01738783;NSC128138;N-METHYLPHENYLCARBAMATE [HSDB];AKOS006242248;LS-50345;MS-20800;CS-0160301;FT-0732910;C10489;Q27252134;B0001-085445

Chemical Property of Phenyl methylcarbamate

Chemical Property:

• Vapor Pressure: 0.148mmHg at 25°C
• Melting Point: 86 °C
• Refractive Index: 1.5810 (estimate)
• Boiling Point: 215.4°C at 760 mmHg
• PKA: 11.54±0.46(Predicted)
• Flash Point: 84.1°C
• PSA: 38.33000
• Density: 1.112g/cm³
• LogP: 1.79570
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 5g/L at 25℃
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

99.9% ^*data from raw suppliers

PhenylN-Methylcarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Carbamic Acid Esters
• Canonical SMILES: CNC(=O)OC1=CC=CC=C1
• Uses: Phenyl N-Methylcarbamate can be used as a biomarker for colorectal cancer. It also used an insecticide.

Technology Process of Phenyl methylcarbamate

There total 16 articles about Phenyl methylcarbamate 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: 96.0%

phenyl chloroformate (1885-14-9) + methylamine (74-89-5) → N-Methyl-O-phenylcarbamat (1943-79-9)

Guidance literature:

In water; at -5 - 0 ℃; for 3.5h;

Reference yield: 81.0%

phenyl carbonazidate (17667-39-9) + acetic acid (64-19-7,77671-22-8) → N-Methyl-O-phenylcarbamat (1943-79-9)

Guidance literature:

With dmap; copper diacetate; In acetonitrile; at 80 ℃; for 3h; Schlenk technique; Sealed tube;

DOI:10.1002/anie.202010974

Reference yield: 80.0%

methyl isocyanate (624-83-9) + phenol (108-95-2,27073-41-2) → N-Methyl-O-phenylcarbamat (1943-79-9)

Guidance literature:

With triethylamine; In acetonitrile; for 24.5h;

DOI:10.1007/BF02464676

upstream raw materials:

methyl isocyanate

phenol

phenyl chloroformate

methylamine

Downstream raw materials:

Methanesulfonylmethyl-methyl-carbamic acid phenyl ester

phenyl-N-(isocyanatocarbonyl)-N-methylcarbamat

S-(4-chlorobenzyl)methylthiocarbamate

N-methyl-p-methylbenzamide

Refernces

• 1、 -. "1,2,4-TRIAZOLINOE CB1 INHIBITORS". Page/Page column 45. . Retrieved 2021/09/11.
• 2、 Zhang, Yipin,Ge, Xia,Lu, Hongjian,Li, Guigen. "Catalytic Decarboxylative C?N Formation to Generate Alkyl, Alkenyl, and Aryl Amines". supporting information. p. 1845 - 1852. Retrieved 2020/12/01.