Ethyl N-(4-chlorophenyl)carbamate

Base Information

• Chemical Name: Ethyl N-(4-chlorophenyl)carbamate
• CAS No.: 2621-80-9
• Molecular Formula: C9H10ClNO2
• Molecular Weight: 199.637
• Hs Code.: 2924299090
• European Community (EC) Number: 654-526-6
• NSC Number: 26960
• DSSTox Substance ID: DTXSID00180851
• Nikkaji Number: J42.823J
• Wikidata: Q63395664
• Mol file: 2621-80-9.mol

Synonyms:4-chlorophenylurethane

Chemical Property of Ethyl N-(4-chlorophenyl)carbamate

Chemical Property:

• Vapor Pressure: 0.0388mmHg at 25°C
• Melting Point: 64 °C
• Refractive Index: 1.572
• Boiling Point: 240 °C at 760 mmHg
• Flash Point: 99 °C
• PSA: 38.33000
• Density: 1.268 g/cm³
• LogP: 2.98140
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 199.0400063
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

N-(p-Chlorophenyl)urethane ^*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

Technology Process of Ethyl N-(4-chlorophenyl)carbamate

There total 31 articles about Ethyl N-(4-chlorophenyl)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: 100.0%

chloroformic acid ethyl ester (541-41-3) + 4-chloro-aniline (106-47-8) → ethyl p-chlorophenylcarbamate (2621-80-9)

Guidance literature:

With pyridine; at 0 ℃; for 1.5h;

Reference yield: 95.0%

1-azido-4-chlorobenzene (3296-05-7) + chloroformic acid ethyl ester (541-41-3) → ethyl p-chlorophenylcarbamate (2621-80-9)

Guidance literature:

With ammonium hydroxide; iron; In methanol; at 25 ℃; for 0.25h; sonication;

DOI:10.1016/S0040-4039(00)01373-3

Reference yield: 93.0%

ethanol (64-17-5) + N-(4-chlorophenyl)formamide (2617-79-0) → ethyl p-chlorophenylcarbamate (2621-80-9)

Guidance literature:

With lead(IV) acetate; In tetrachloromethane; for 0.666667h; Heating;

DOI:10.1055/s-1982-29757

upstream raw materials:

ethanol

p-chlorphenylisocyanate

Triethyl orthoacetate

N-(4-chlorophenyl)urea

Downstream raw materials:

1-(4-chloro-6-methyl-2-pyrimidinyl)-3-(p-chlorophenyl)urea

2-(4-chloro-phenyl)-4-phenyl-allophanic acid ethyl ester

3-(4-chloro-phenyl)-oxazolidine-2,4-dione

Chloromethyl-(4-chloro-phenyl)-carbamic acid ethyl ester

Refernces

• 1、 Imai, Nobuyuki,Jung, Seunghee,Kawashima, Yuya,Noguchi, Takuya. "Synthesis of Acetaminophen Analogues Containing α-Amino Acids and Fatty Acids for Inhibiting Hepatotoxicity". . p. 3686 - 3696. Retrieved 2019/09/30.
• 2、 Mao, Hui,Liu, Huili,Tu, Yawei,Zhong, Zhiyun,Lv, Xin,Wang, Xiaoxia. "One-pot preparation of carbamoyl benzotriazoles and their applications in the preparation of ureas, hydrazinecarboxamides and carbamic esters". . p. 13 - 22. Retrieved 2016/02/18.