Ethyl N-(3,4-dichlorophenyl)carbamate

Base Information

• Chemical Name: Ethyl N-(3,4-dichlorophenyl)carbamate
• CAS No.: 7159-94-6
• Molecular Formula: C9H9Cl2NO2
• Molecular Weight: 234.082
• Hs Code.: 2924299090
• NSC Number: 204606
• UNII: 6LN2AD43MW
• DSSTox Substance ID: DTXSID60221815
• Nikkaji Number: J46.011G
• Wikidata: Q63391677
• Mol file: 7159-94-6.mol

Synonyms:7159-94-6;ethyl (3,4-dichlorophenyl)carbamate;Ethyl N-(3,4-dichlorophenyl)carbamate;Carbanilic acid, 3,4-dichloro-, ethyl ester;N-(3,4-Dichlorophenyl)carbamic acid;Carbamic acid, (3,4-dichlorophenyl)-, ethyl ester;6LN2AD43MW;Carbamic acid, (3,4-dichlorophenyl)-, ethyl ester (9CI);NSC 204606;NSC-204606;NSC204606;3,4-Dichlorophenylcarbamic acid ethyl ester;UNII-6LN2AD43MW;TimTec1_000992;SCHEMBL9659046;3,4-dichlorphenyl ethylcarbamate;DTXSID60221815;HMS1536N02;ethyl(3,4-dichlorophenyl)carbamate;AMY10547;Ethyl 3,4-dichlorophenylcarbamate #;AKOS003866006;NCGC00174904-01;FT-0718685;L10134;Q63391677;CARBAMIC ACID, N-(3,4-DICHLOROPHENYL)-, ETHYL ESTER

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

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Boiling Point: 270°Cat760mmHg
• Flash Point: 117.1°C
• PSA: 38.33000
• Density: 1.382g/cm³
• LogP: 3.63480
• Storage Temp.: 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 233.0010339
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

98%min ^*data from raw suppliers

ETHYL N-(3,4-DICHLOROPHENYL)CARBAMATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 7 articles about Ethyl 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: 80.0%

1,2-dichloro-benzene (95-50-1) + urethane (51-79-6) → ethyl (3,4-dichlorophenyl)carbamate (7159-94-6)

Guidance literature:

With lithium perchlorate; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; for 48h; chemoselective reaction; Irradiation; Inert atmosphere; Electrolysis;

DOI:10.1002/anie.202100222

Reference yield: 60.0%

ethanol (64-17-5) + DCMU (330-54-1) → ethyl (3,4-dichlorophenyl)carbamate (7159-94-6)

Guidance literature:

With water; for 360h;

DOI:10.1039/b205850b

Reference yield:

ethanol (64-17-5) + 2-ethoxycarbonyl-1-cyclopentanone (611-10-9) → diethyl adipate (141-28-6) + ethyl (3,4-dichlorophenyl)carbamate (7159-94-6) + 3-(3-Ethoxycarbonylpropyl)-pyrrolidon-(2)

Guidance literature:

With N-(3,4-Dichlorphenylcarbamoyl)aziridin; sodium ethanolate; Yield given. Multistep reaction. Yields of byproduct given; 2.) 10 d;

upstream raw materials:

ethanol

3,4-dichlorophenylisocyanate

N-(3,4-Dichlorphenylcarbamoyl)aziridin

2-ethoxycarbonyl-1-cyclopentanone

Downstream raw materials:

N-Aethoxycarbonyl-3,4-dichlor-oxanilsaeure-methylester

3,4-dichlorophenylisocyanate

5-tert-Butyl-3-(3,4-dichloro-phenyl)-3H-oxazol-2-one

DCMU

Refernces

• 1、 Das, Somnath,Natarajan, Palani,K?nig, Burkhard. "Teaching Old Compounds New Tricks: DDQ-Photocatalyzed C?H Amination of Arenes with Carbamates, Urea, and N-Heterocycles". supporting information. p. 18161 - 18165. Retrieved 2017/12/28.
• 2、 Braverman,Cherkinsky,Kedrova,Reiselman. "A novel synthesis of isocyanates and ureas via β-elimination of haloform". . p. 3235 - 3238. Retrieved 2007/10/03.