p-Bromo-beta-chlorocinnamaldehyde

Base Information

• Chemical Name: p-Bromo-beta-chlorocinnamaldehyde
• CAS No.: 14063-78-6
• Molecular Formula: C9H6BrClO
• Molecular Weight: 245.503
• European Community (EC) Number: 630-796-0
• Nikkaji Number: J1.348.369H,J2.970.494E
• Wikidata: Q76325388
• Mol file: 14063-78-6.mol

Synonyms:p-Bromo-beta-chlorocinnamaldehyde;BRN 1863990;CINNAMALDEHYDE, p-BROMO-beta-CHLORO-;161891-32-3;14063-78-6;4-07-00-00992 (Beilstein Handbook Reference);2-Propenal, 3-(4-bromophenyl)-3-chloro-, (2Z)-;(2Z)-3-(4-Bromophenyl)-3-chloroacrylaldehyde;(2Z)-3-(4-bromophenyl)-3-chloroprop-2-enal;SCHEMBL2559234;SCHEMBL2559511;beta-Chloro-4-bromobenzenepropenal;AKOS004121074;AKOS022314312;LS-53821;(Z)-3-(4-Bromophenyl)-3-chloroacrylaldehyde

Chemical Property of p-Bromo-beta-chlorocinnamaldehyde

Chemical Property:

• Vapor Pressure: 0.000192mmHg at 25°C
• Boiling Point: 328.2°Cat760mmHg
• Flash Point: 152.3°C
• PSA: 17.07000
• Density: 1.547g/cm³
• LogP: 3.22770
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 243.92906
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=CC=O)Cl)Br
• Isomeric SMILES: C1=CC(=CC=C1/C(=C/C=O)/Cl)Br

Technology Process of p-Bromo-beta-chlorocinnamaldehyde

There total 7 articles about p-Bromo-beta-chlorocinnamaldehyde 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: 80.0%

para-bromoacetophenone (99-90-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → (Z)-3-(4-bromophenyl)-3-chloroacrylaldehyde (14063-78-6)

Guidance literature:

With bis-(trichloromethyl) carbonate; at 60 ℃;

DOI:10.1080/00304940709356012

Reference yield: 76.0%

para-bromoacetophenone (99-90-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-(4-bromophenyl)-3-chloroprop-2-enal (14063-78-6)

Guidance literature:

With trichlorophosphate;

DOI:10.1055/s-0030-1260009

Reference yield:

4-bromo-1-ethynylbenzene (766-96-1) → 3-(4-bromophenyl)-3-chloroprop-2-enal (14063-78-6)

Guidance literature:

With N-methyl-N-phenylformamide; trichlorophosphate;

upstream raw materials:

4-bromo-1-ethynylbenzene

2-chloro-2-(4-bromophenyl)ethene

para-bromoacetophenone

N,N-dimethyl-formamide

Downstream raw materials:

(Z)-3-(4-Bromo-phenyl)-3-methyltellanyl-propenal

3-(4-bromophenyl)isoxazole

2-[6-(4-Bromo-phenyl)-selenopyran-(2Z)-ylidene]-propionaldehyde