Benzene, 1-(2-bromo-1-chloroethyl)-4-chloro-

Base Information

• Chemical Name: Benzene, 1-(2-bromo-1-chloroethyl)-4-chloro-
• CAS No.: 109275-35-6
• Molecular Formula: C8H7BrCl2
• Molecular Weight: 253.954
• DSSTox Substance ID: DTXSID90463802
• Nikkaji Number: J1.829.768J
• Mol file: 109275-35-6.mol

Synonyms:109275-35-6;Benzene, 1-(2-bromo-1-chloroethyl)-4-chloro-;DTXSID90463802

Chemical Property of Benzene, 1-(2-bromo-1-chloroethyl)-4-chloro-

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 251.91082
• Heavy Atom Count: 11
• Complexity: 111

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CBr)Cl)Cl

Technology Process of Benzene, 1-(2-bromo-1-chloroethyl)-4-chloro-

There total 5 articles about Benzene, 1-(2-bromo-1-chloroethyl)-4-chloro- 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: 99.0%

4-chlorobenzoylmethyl bromide (536-38-9) → 1-(2-bromo-1-chloroethyl)-4-chlorobenzene (109275-35-6)

Guidance literature:

With indium(III) hydroxide; dimethylmonochlorosilane; In chloroform; at 20 ℃; for 4h;

DOI:10.1021/ja0283246

Reference yield: 74.0%

4-vinylbenzyl chloride (1073-67-2,24991-47-7) → 1-(2-bromo-1-chloroethyl)-4-chlorobenzene (109275-35-6)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; 1,3-dichloro-5,5-dimethylhydantoin; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; In toluene; at 30 ℃; for 24h; Sealed tube;

DOI:10.1002/cjoc.202100472

Reference yield:

4-vinylbenzyl chloride (1073-67-2,24991-47-7) → 1,2-dibromo-1-(4-chlorophenyl)ethane (23135-16-2) + 4-Chlorostyrene oxide (2788-86-5) + 1-(2-bromo-1-chloroethyl)-4-chlorobenzene (109275-35-6)

Guidance literature:

With sodium hypochlorite; potassium bromide; In phosphate buffer; acetonitrile; at 40 ℃; for 1h; pH=10.4;

DOI:10.1002/adsc.200390044

upstream raw materials:

4-vinylbenzyl chloride

acetic acid

4-chlorobenzoylmethyl bromide

Downstream raw materials:

α,p-dichlorostyrene

Refernces

• 1、 Klawonn, Markus,Bhor, Santosh,Mehltretter, Gerald,Doebler, Christian,Fischer, Christine,Beller, Matthias. "A Simple and Convenient Method for Epoxidation of Olefins without Metal Catalysts". . p. 389 - 392. Retrieved 2007/10/03.
• 2、 Negoro, Takeshi,Ikeda, Yoshitsugu. "Bromochlorination of Alkenes with Dichlorobromate(1-) Ion. V. Regio- and Stereochemistry for the Bromochlorination of Styrene Derivatives with Dichlorobromate(1-) Ion in Protic Solvents". . p. 3519 - 3522. Retrieved 2007/10/02.