alpha,beta-Dichlorostyrene

Base Information

• Chemical Name: alpha,beta-Dichlorostyrene
• CAS No.: 58723-96-9
• Molecular Formula: C8H6Cl2
• Molecular Weight: 173.042
• UNII: 8Q9C4E969P
• DSSTox Substance ID: DTXSID8073132
• Nikkaji Number: J48.679E,J90.009E
• Mol file: 58723-96-9.mol

Synonyms:(Z)-alpha,beta-Dichlorostyrene;(1,2-DICHLOROETHENYL)BENZENE;6607-45-0;.alpha.,.beta.-Dichlorostyrene;Dichlorostyrene, .alpha.,.beta.-;NSC-50764;NSC-72540;(Z)-(1,2-dichlorovinyl)benzene;1,2-dichloroethenylbenzene;58723-96-9;cis-alpha,beta-Dichlorostyrene;SCHEMBL8921796;DTXSID8073132;cis-1,2-Dichloro-1-phenylethene;8Q9C4E969P;cis-1,2-dichloro-1-phenylethylene;(1,2-DICHLOROVINYL)BENZENE;[(1Z)-1,2-Dichloroethenyl]benzene;.ALPHA.,.BETA.- DICHLOROSTYRENE;Benzene, [(1Z)-1,2-dichloroethenyl]-

Chemical Property of alpha,beta-Dichlorostyrene

Chemical Property:

• PSA: 0.00000
• LogP: 3.46260
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 171.9846556
• Heavy Atom Count: 10
• Complexity: 123

Purity/Quality:

99% ^*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(=CCl)Cl
• Isomeric SMILES: C1=CC=C(C=C1)/C(=C/Cl)/Cl

Technology Process of alpha,beta-Dichlorostyrene

There total 18 articles about alpha,beta-Dichlorostyrene 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: 98.0%

phenylethynyl chloride (1483-82-5) → (Z)-1,2-dichloro-2-phenylethylene (58723-96-9)

Guidance literature:

With 2-(di-tert-butylphosphino)-1,1'-biphenylgold(I) chloride; acetic acid; lithium chloride; at 100 ℃; stereoselective reaction;

DOI:10.1021/acscatal.7b03563

Reference yield: 84.0%

potassium (Z)-2-chloro-2-phenylethenyltrifluoroborate → (Z)-1,2-dichloro-2-phenylethylene (58723-96-9)

Guidance literature:

With Bu₄NCl₃; In tetrahydrofuran; water; at 20 ℃; for 4h; stereospecific reaction;

DOI:10.1139/v2012-041

Reference yield: 39.0%

trichloro[(Z)-2-chloro-2-phenylethenyl]-λ4-tellane (71955-87-8,72903-51-6,86195-27-9) → (Z)-1,2-dichloro-2-phenylethylene (58723-96-9)

Guidance literature:

In benzene; at 20 - 25 ℃; for 0.25h; Irradiation;

DOI:10.1246/cl.1980.943

upstream raw materials:

phenylacetylene

Trichloroethylene

phenylethynyl chloride

trichloro[(Z)-2-chloro-2-phenylethenyl]-λ⁴-tellane

Downstream raw materials:

4-methyl-N-octyl-N-(phenylethynyl)benzenesulfonamide

N-benzyl-N-(p-toluenesulfonyl)-2-phenylethynylamine

N,4-dimethyl-N-(phenylethynyl)benzenesulfonamide

N-propyl-N-(phenylethynyl)-4-methylbenzenesulfonamide