1-(1-Bromoethyl)-4-chlorobenzene

Base Information

• Chemical Name: 1-(1-Bromoethyl)-4-chlorobenzene
• CAS No.: 14804-61-6
• Molecular Formula: C8H8 Br Cl
• Molecular Weight: 219.509
• Hs Code.: 2903999090
• European Community (EC) Number: 238-870-0
• DSSTox Substance ID: DTXSID60933289
• Nikkaji Number: J227.197D
• Mol file: 14804-61-6.mol

Synonyms:1-(1-Bromoethyl)-4-chlorobenzene;14804-61-6;Benzene, 1-(1-bromoethyl)-4-chloro-;EINECS 238-870-0;C8H8BrCl;C8-H8-Br-Cl;SCHEMBL624797;DTXSID60933289;MFCD11180323;AKOS009306974;AB90114;AC-28653;BS-13264;EN300-52229;N10576;J-008435

Chemical Property of 1-(1-Bromoethyl)-4-chlorobenzene

Chemical Property:

• Vapor Pressure: 0.0719mmHg at 25°C
• Boiling Point: 236.6°Cat760mmHg
• Flash Point: 116.9°C
• PSA: 0.00000
• Density: 1.481g/cm³
• LogP: 3.79590
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 217.94979
• Heavy Atom Count: 10
• Complexity: 97.4

Purity/Quality:

98%Min ^*data from raw suppliers

1-(1-Bromoethyl)-4-chlorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)Cl)Br

Technology Process of 1-(1-Bromoethyl)-4-chlorobenzene

There total 11 articles about 1-(1-Bromoethyl)-4-chlorobenzene 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: 95.0%

1-(p-chlorophenyl)ethyl alcohol (3391-10-4) → 1-(1-bromoethyl)-4-chlorobenzene (14804-61-6)

Guidance literature:

With bromine; 1,2-bis-(diphenylphosphino)ethane; In dichloromethane; at -20 - 15 ℃; Inert atmosphere;

DOI:10.1021/jacs.6b06285

Reference yield: 95.0%

para-chloroacetophenone (99-91-2) → 1-(1-bromoethyl)-4-chlorobenzene (14804-61-6)

Guidance literature:

With bromine; trimethylamine borane; In chloroform; at 0 - 5 ℃; for 1h;

Reference yield: 94.0%

4-vinylbenzyl chloride (1073-67-2,24991-47-7) → 1-(1-bromoethyl)-4-chlorobenzene (14804-61-6)

Guidance literature:

With silica gel; phosphorus tribromide; In dichloromethane; at 20 ℃; for 0.75h;

DOI:10.1016/j.bmcl.2019.03.033

upstream raw materials:

4-chloro(ethylbenzene)

1-(p-chlorophenyl)ethyl alcohol

para-chloroacetophenone

4-vinylbenzyl chloride

Downstream raw materials:

Diethyl-<1-(4'-chlorphenyl)-ethyl)>-malonat

1-(4-chlorophenyl)-1-nitroethane

2-(4-Chloro-phenyl)-propionic acid

3-(4-Chloro-phenyl)-2-(4-isopropyl-phenoxy)-2-methyl-butyric acid ethyl ester

Refernces

• 1、 -. "1,2,4-TRIAZOLINOE CB1 INHIBITORS". Page/Page column 46. . Retrieved 2021/09/11.
• 2、 Nielsen, Alexander J.,Raez-Villanueva, Sergio,Crankshaw, Denis J.,Holloway, Alison C.,McNulty, James. "Synthesis of α-methylstilbenes using an aqueous Wittig methodology and application toward the development of potent human aromatase inhibitors". supporting information. p. 1395 - 1398. Retrieved 2019/04/03.