(E)-1-(3-Bromoprop-1-en-1-yl)-2-chlorobenzene

Base Information

• Chemical Name: (E)-1-(3-Bromoprop-1-en-1-yl)-2-chlorobenzene
• CAS No.: 58187-85-2
• Molecular Formula: C9H8BrCl
• Molecular Weight: 231.52
• DSSTox Substance ID: DTXSID10469927
• Nikkaji Number: J2.786.386H
• Mol file: 58187-85-2.mol

Synonyms:(E)-1-(3-Bromoprop-1-en-1-yl)-2-chlorobenzene;58187-85-2;SCHEMBL10590630;DTXSID10469927;JJJYDUKZFZGPHS-HWKANZROSA-N;AKOS015964441

Chemical Property of (E)-1-(3-Bromoprop-1-en-1-yl)-2-chlorobenzene

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 229.94979
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=CCBr)Cl
• Isomeric SMILES: C1=CC=C(C(=C1)/C=C/CBr)Cl

Technology Process of (E)-1-(3-Bromoprop-1-en-1-yl)-2-chlorobenzene

There total 1 articles about (E)-1-(3-Bromoprop-1-en-1-yl)-2-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:

3-(2-chlorophenyl)prop-2-en-1-ol (1504-71-8) → C9H8BrCl (58187-85-2)

Guidance literature:

With phosphorus tribromide;

DOI:10.1021/jo200275c

Reference yield: 76.0%

C9H8BrCl (58187-85-2) + 4-chlorocinnamaldehyde (1075-77-0) → 3-(4-chlorophenyl)acrylic acid 3-(2-chlorophenyl)allyl ester

Guidance literature:

With oxygen; 1,3-dibenzyl-1H-benzo[d]imidazol-3-ium chloride; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; tert-butyl alcohol; at 25 ℃; for 48h;

DOI:10.1021/jo200275c

Reference yield: 69.0%

C9H8BrCl (58187-85-2) + methylmagnesium bromide (75-16-1) → (-)-(S)-1-chloro-2-(but-3-en-2-yl)benzene

Guidance literature:

With copper(I) bromide dimethylsulfide complex; (Rp)-taniaphos; In diethyl ether; dichloromethane; at -78 ℃; for 16h; enantioselective reaction; Schlenk technique;

DOI:10.1021/acs.joc.5b00371

upstream raw materials:

3-(2-chlorophenyl)prop-2-en-1-ol

Downstream raw materials:

(-)-(S)-5-(1-(2-chlorophenyl)allyl)-1,3-benzodioxole

(-)-(S)-1-chloro-2-(1-phenylallyl)benzene

5-phenylpenta-2,4-dienoic acid

(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienoic acid

Refernces