Methyl (3,5-dichlorophenyl)carbamate

Base Information

• Chemical Name: Methyl (3,5-dichlorophenyl)carbamate
• CAS No.: 25217-43-0
• Molecular Formula: C8H7Cl2NO2
• Molecular Weight: 220.05
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID50179876
• Nikkaji Number: J438.561F
• Wikidata: Q83050391
• ChEMBL ID: CHEMBL2285815
• Mol file: 25217-43-0.mol

Synonyms:Methyl (3,5-dichlorophenyl)carbamate;25217-43-0;Methyl N-(3,5-dichlorophenyl)carbamate;MDPC;Methyl 3,5-dichlorocarbanilate;3,5-Dichlorocarbanilic acid methyl ester;BRN 2101855;Carbamic acid, (3,5-dichlorophenyl)-, methyl ester;Carbamic acid,(3,5-dichlorophenyl)-, methyl ester (9CI);CARBANILIC ACID, 3,5-DICHLORO-, METHYL ESTER;Carbamic acid, (3,5-dichlorophenyl)-, methyl ester (9CI);methyl 3,5-dichlorophenylcarbamate;Maybridge1_000169;MixCom1_000323;SCHEMBL2095417;CHEMBL2285815;DTXSID50179876;MFCD00126402;AKOS003442079;SB79662;methyl N-(3,5-dichlorophenyl) carbamate;methyl N-(3,5-dichlorophenyl)-carbamate;DS-11510;LS-51100;3,5-Dichlorocarbanilic acid methyl ester,;3,5-Dichlorophenylcarbamic acid methyl ester;CS-0150651;FT-0628758;Y10980;Carbamic acid, N-(3,5-dichlorophenyl)-, methyl ester;3,6-DIHYDRO-2H-[2,4]BIPYRIDINYL-1-CARBOXYLICACIDTERT-BUTYLESTER

Chemical Property of Methyl (3,5-dichlorophenyl)carbamate

Chemical Property:

• Vapor Pressure: 0.0241mmHg at 25°C
• Melting Point: 120-122 °C
• Refractive Index: 1.597
• Boiling Point: 248.5 °C at 760 mmHg
• PKA: 12.52±0.70(Predicted)
• Flash Point: 104.1 °C
• PSA: 38.33000
• Density: 1.44 g/cm³
• LogP: 3.24470
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.9853839
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

MethylN-(3,5-Dichlorophenyl)carbamate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)NC1=CC(=CC(=C1)Cl)Cl

Technology Process of Methyl (3,5-dichlorophenyl)carbamate

There total 4 articles about Methyl (3,5-dichlorophenyl)carbamate 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: 83.0%

methyl chloroformate (79-22-1) + 3,5-Dichloroaniline (626-43-7) → methyl (3,5-dichlorophenyl)carbamate (25217-43-0)

Guidance literature:

In toluene; for 2h; Heating;

DOI:10.1002/(SICI)1096-9063(199911)55:11<1116::AID-PS65>3.0.CO;2-Y

Reference yield: 60.0%

methanol (67-56-1) + 3,5-dichlorobenzamide (5980-23-4) → methyl (3,5-dichlorophenyl)carbamate (25217-43-0)

Guidance literature:

With sodium bromide; In acetonitrile; at 50 ℃; for 6h; Electrochemical reaction; Green chemistry;

DOI:10.1039/c8ob01059e

Reference yield:

3-(3,5-dichlorophenyl)-5-methyl-5-vinyloxazolidine-2,4-dione (152723-53-0,152723-54-1,50471-44-8) → methyl (3,5-dichlorophenyl)carbamate (25217-43-0)

Guidance literature:

In methanol; water; for 0.166667h; UV-irradiation; formation of xenobiotics;

DOI:10.1002/(SICI)1096-9063(199911)55:11<1116::AID-PS65>3.0.CO;2-Y

upstream raw materials:

3-(3,5-dichlorophenyl)-5-methyl-5-vinyloxazolidine-2,4-dione

methyl chloroformate

3,5-Dichloroaniline

methanol