1-Bromo-4-(1-chloroethyl)benzene

Base Information

• Chemical Name: 1-Bromo-4-(1-chloroethyl)benzene
• CAS No.: 20488-10-2
• Molecular Formula: C8H8BrCl
• Molecular Weight: 219.509
• DSSTox Substance ID: DTXSID70561658
• Mol file: 20488-10-2.mol

Synonyms:1-bromo-4-(1-chloroethyl)benzene;20488-10-2;4-Bromo-1-chloroethylbenzene;1-(4-bromophenyl)ethylchloride;SCHEMBL3165206;1-(4-bromophenyl)-ethylchloride;DTXSID70561658;GRBCXCXQMLHBTA-UHFFFAOYSA-N;MFCD11186452;AKOS009235224;EN300-103420;W15990

Chemical Property of 1-Bromo-4-(1-chloroethyl)benzene

Chemical Property:

• XLogP3: 3.4
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Bromo-4-(1-chloroethyl)benzene

There total 6 articles about 1-Bromo-4-(1-chloroethyl)benzene 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%

1-(4-bromophenyl)ethanol (5391-88-8) → 1-(1-chloroethyl)-4-bromobenzene (20488-10-2)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 20h;

Reference yield: 81.0%

para-bromoacetophenone (99-90-1) → 1-(1-chloroethyl)-4-bromobenzene (20488-10-2)

Guidance literature:

With triethylsilane; chloro-trimethyl-silane; In acetic acid methyl ester; at 20 ℃; for 1h;

DOI:10.1039/c5cy00067j

Reference yield: 46.0%

1-bromo-4-ethylbenzene (1585-07-5) → 1-(1-chloroethyl)-4-bromobenzene (20488-10-2)

Guidance literature:

With tert-butylhypochlorite; bis(1,10-phenanthroline)silver(I) triflate; In acetonitrile; at 20 ℃; for 48h; regioselective reaction; Inert atmosphere;

DOI:10.1021/acs.orglett.7b00367

upstream raw materials:

1-(4-bromophenyl)ethanol

para-bromoacetophenone

1-bromo-4-ethylbenzene

Downstream raw materials:

C₂₀H₁₇BrO₂

1-(4-bromophenyl)ethanol

2-<3-(4-Bromophenyl)buten-2-yl>-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene

2-(4-Bromo-phenyl)-1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propan-1-one