(2,6-dichlorophenyl) N,N-dimethylcarbamate

Base Information

• Chemical Name: (2,6-dichlorophenyl) N,N-dimethylcarbamate
• CAS No.: 14863-58-2
• Molecular Formula: C9H9 Cl2 N O2
• Molecular Weight: 234.082
• NSC Number: 166429
• DSSTox Substance ID: DTXSID60304596
• Nikkaji Number: J3.274.794I
• Wikidata: Q82050618
• Mol file: 14863-58-2.mol

Synonyms:14863-58-2;(2,6-dichlorophenyl) N,N-dimethylcarbamate;NSC166429;DTXSID60304596;2,6-dichlorophenyl dimethylcarbamate;AKOS024332620;NSC-166429

Chemical Property of (2,6-dichlorophenyl) N,N-dimethylcarbamate

Chemical Property:

• Vapor Pressure: 0.000912mmHg at 25°C
• Boiling Point: 303.8°Cat760mmHg
• Flash Point: 137.5°C
• Density: 1.339g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 233.0010339
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)OC1=C(C=CC=C1Cl)Cl

Technology Process of (2,6-dichlorophenyl) N,N-dimethylcarbamate

There total 8 articles about (2,6-dichlorophenyl) N,N-dimethylcarbamate 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: 54.0%

o-chlorophenyl dimethylcarbamate (7305-01-3) → 2,6-dichlorophenyl dimethylcarbamate (14863-58-2)

Guidance literature:

With N-chloro-succinimide; trifluorormethanesulfonic acid; palladium diacetate; In 1,2-dichloro-ethane; at 20 ℃; for 10h; regioselective reaction; Sealed tube;

DOI:10.1039/c3cc47431c

Reference yield:

<2-D>-phenol (23951-01-1) → 2,6-dichlorophenyl dimethylcarbamate (14863-58-2)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / acetonitrile / 4 h / Reflux; Sealed tube

2: N-chloro-succinimide; palladium diacetate; sodium pyrosulfate; trifluorormethanesulfonic acid / 1,2-dichloro-ethane / 0.17 h / 20 °C / Sealed tube

3: N-chloro-succinimide; palladium diacetate; trifluorormethanesulfonic acid / 1,2-dichloro-ethane / 10 h / 20 °C / Sealed tube

With N-chloro-succinimide; sodium pyrosulfate; trifluorormethanesulfonic acid; palladium diacetate; potassium carbonate; In 1,2-dichloro-ethane; acetonitrile;

DOI:10.1039/c3cc47431c

Reference yield:

phenol (108-95-2,27073-41-2) → 2,6-dichlorophenyl dimethylcarbamate (14863-58-2)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate / acetonitrile / 2 h / Reflux; Sealed tube

2: N-chloro-succinimide; palladium diacetate; trifluorormethanesulfonic acid / 1,2-dichloro-ethane / 11 h / 20 °C / Sealed tube

3: N-chloro-succinimide; palladium diacetate; trifluorormethanesulfonic acid / 1,2-dichloro-ethane / 10 h / 20 °C / Sealed tube

With N-chloro-succinimide; trifluorormethanesulfonic acid; palladium diacetate; potassium carbonate; In 1,2-dichloro-ethane; acetonitrile;

DOI:10.1039/c3cc47431c

upstream raw materials:

<2-D>-phenol

o-chlorophenyl dimethylcarbamate

2-deuterio-phenyl dimethylcarbamate

phenyl N,N-dimethylcarbamate

Downstream raw materials:

2,6-Dichlorophenol