Isopropyl N-4-chlorophenylcarbamate

Base Information

• Chemical Name: Isopropyl N-4-chlorophenylcarbamate
• CAS No.: 2239-92-1
• Molecular Formula: C10H12 Cl N O2
• Molecular Weight: 213.664
• European Community (EC) Number: 218-804-7
• NSC Number: 78937
• DSSTox Substance ID: DTXSID3062285
• Nikkaji Number: J42.824H
• Wikidata: Q81989959
• Mol file: 2239-92-1.mol

Synonyms:Isopropyl N-4-chlorophenylcarbamate;4-Cipc;2239-92-1;Isopropyl p-chlorocarbanilate;Isopropyl p-chlorophenylcarbamate;Carbamic acid, (4-chlorophenyl)-, 1-methylethyl ester;Carbanilic acid, p-chloro-, isopropyl ester;EINECS 218-804-7;NSC 78937;1-Methylethyl (4-chlorophenyl)carbamate;BRN 2835619;AI3-18062;H 22948;isopropyl N-(4-chlorophenyl)carbamate;Carbamic acid, N-(4-chlorophenyl)-, 1-methylethyl ester;propan-2-yl N-(4-chlorophenyl)carbamate;NCIOpen2_004380;WLN: GR DMVOY1&1;clorophenyl isopropyl carbamate;Isopropyl 4'-chlorocarbanilate;SCHEMBL9335595;DTXSID3062285;HMS1670I03;Isopropyl 4-chlorophenylcarbamate #;NSC78937;CCG-44735;NSC-78937;AKOS024334172;LS-51013;4-Chlorophenylcarbamic acid isopropyl ester;SR-01000634551-1

Chemical Property of Isopropyl N-4-chlorophenylcarbamate

Chemical Property:

• Vapor Pressure: 0.0192mmHg at 25°C
• Boiling Point: 252.5°C at 760 mmHg
• Flash Point: 106.5°C
• Density: 1.226g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 213.0556563
• Heavy Atom Count: 14
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Isopropyl N-4-chlorophenylcarbamate

There total 14 articles about Isopropyl N-4-chlorophenylcarbamate 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: 93.0%

p-chlorphenylisocyanate (104-12-1) + isopropyl alcohol (67-63-0,8013-70-5) → Isopropyl N-4-chlorophenylcarbamate (2239-92-1)

Guidance literature:

at 90 ℃; for 3h; Inert atmosphere;

Reference yield: 90.0%

potassium cyanate (590-28-3) + bromochlorobenzene (106-39-8) + isopropyl alcohol (67-63-0,8013-70-5) → Isopropyl N-4-chlorophenylcarbamate (2239-92-1)

Guidance literature:

With copper(l) iodide; 2-(2,6-dimethylphenyl-amino)-2-oxoacetic acid potassium salt; at 110 ℃; for 24h; Inert atmosphere;

DOI:10.1002/adsc.201200296

Reference yield: 87.0%

N-(4-chlorophenyl)formamide (2617-79-0) + isopropyl alcohol (67-63-0,8013-70-5) → Isopropyl N-4-chlorophenylcarbamate (2239-92-1)

Guidance literature:

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

DOI:10.1055/s-1982-29757

upstream raw materials:

4-chloro-aniline

isopropyl chloroformate

styrene

N-(4-chlorobenzylidene)aniline

Downstream raw materials:

(4-chloro-phenyl)-μ-imido-dicarbonic acid diisopropyl ester

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

Refernces

• 1、 -. "Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin". Page/Page column 131. . Retrieved 2020/07/09.
• 2、 Usman, Muhammad,Ren, Zhi-Hui,Wang, Yao-Yu,Guan, Zheng-Hui. "Copper-catalyzed carbonylation of anilines by diisopropyl azodicarboxylate for the synthesis of carbamates". . p. 107542 - 107546. Retrieved 2016/11/29.