Methyl N-(3,4-dichlorophenyl)carbamate

Base Information

• Chemical Name: Methyl N-(3,4-dichlorophenyl)carbamate
• CAS No.: 1918-18-9
• Molecular Formula: C8H7 Cl2 N O2
• Molecular Weight: 220.055
• Hs Code.: 2924299036
• European Community (EC) Number: 620-362-9
• UNII: 6A0988TW71
• DSSTox Substance ID: DTXSID7042437
• Nikkaji Number: J3.385E
• Wikidata: Q27155793
• ChEMBL ID: CHEMBL1573885
• Mol file: 1918-18-9.mol

Synonyms:methyl 3,4-dichlorocarbanilate;swep compound

Chemical Property of Methyl N-(3,4-dichlorophenyl)carbamate

Chemical Property:

• Vapor Pressure: 0.0195mmHg at 25°C
• Melting Point: 112-114℃
• Refractive Index: 1.597
• Boiling Point: 252.3°Cat 760 mmHg
• PKA: 12.32±0.70(Predicted)
• Flash Point: 106.4°C
• PSA: 38.33000
• Density: 1.44g/cm³
• LogP: 3.24470
• Storage Temp.: 0-6°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.9853839
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

98%,99%, ^*data from raw suppliers

Swep ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Carbamate
• Canonical SMILES: COC(=O)NC1=CC(=C(C=C1)Cl)Cl
• Uses: Herbicide.

Technology Process of Methyl N-(3,4-dichlorophenyl)carbamate

There total 6 articles about Methyl N-(3,4-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: 97.0%

methyl chloroformate (79-22-1) + m,p-dichloroaniline (95-76-1) → methyl N-(3,4-dichlorophenyl)carbamate (1918-18-9)

Guidance literature:

With N,N-dimethyl acetamide; at 5 - 20 ℃; for 0.75h;

DOI:10.1002/ardp.19853180819

Reference yield: 80.0%

1,3-bis(3,4-dichlorophenyl)urea (4300-43-0) + methyl carbamate (598-55-0) + m,p-dichloroaniline (95-76-1) → methyl N-(3,4-dichlorophenyl)carbamate (1918-18-9)

Guidance literature:

In methanol; chlorobenzene;

Reference yield: 76.7%

3,4-dichlorophenylcarbamate + methyl iodide (74-88-4) → methyl N-(3,4-dichlorophenyl)carbamate (1918-18-9)

Guidance literature:

3,4-dichlorophenylcarbamate; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 3h;

upstream raw materials:

3,4-dichlorophenylisocyanate

methanol

3-(3,4-dichlorophenyl)-1-hydroxy-1-methylurea

methyl chloroformate

Downstream raw materials:

methanolate

3,4-dichlorophenylisocyanate

1-Butyl-3-(3,4-dichlorophenyl)-1-methylurea

methyl (4,5-dichloro-2-iodophenyl)carbamate

Refernces

• 1、 Fra, Laura,Millán, Alba,Souto, José A.,Mu?iz, Kilian. "Indole synthesis based on a modified koser reagent". supporting information. p. 7349 - 7353. Retrieved 2014/07/21.
• 2、 Weisz, Imre,Oetvoes, Laszlo. "Acylation of Alcohols, Amines and Amine Salts with Acid Chlorides in the Presence of Amides". . p. 766 - 768. Retrieved 2007/10/02.