1-Chloro-3-(1-phenylvinyl)benzene

Base Information

• Chemical Name: 1-Chloro-3-(1-phenylvinyl)benzene
• CAS No.: 29265-81-4
• Molecular Formula: C14H11 Cl
• Molecular Weight: 214.694
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID80505124
• Wikidata: Q82360034
• Mol file: 29265-81-4.mol

Synonyms:1-Chloro-3-(1-phenylvinyl)benzene;29265-81-4;1-CHLORO-3-(1-PHENYL-VINYL)-BENZENE;1-chloro-3-(1-phenylethenyl)benzene;Benzene,1-chloro-3-(1-phenylethenyl)-;SCHEMBL7763955;DTXSID80505124;AB1351;MFCD06658409;AKOS024260423;SB36417;Benzene, 1-chloro-3-(1-phenylethenyl)-;CS-0320539;A819853

Chemical Property of 1-Chloro-3-(1-phenylvinyl)benzene

Chemical Property:

• Boiling Point: 315.1±21.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.107±0.06 g/cm3(Predicted)
• LogP: 4.40150
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 214.0549280
• Heavy Atom Count: 15
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

1-Chloro-3-(1-phenylvinyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(C1=CC=CC=C1)C2=CC(=CC=C2)Cl

Technology Process of 1-Chloro-3-(1-phenylvinyl)benzene

There total 11 articles about 1-Chloro-3-(1-phenylvinyl)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: 91.0%

→ 1-chloro-3-(1-phenylvinyl)benzene (29265-81-4)

Guidance literature:

With phosphonic acid diethyl ester; In diethyl ether; at 0 ℃; for 27h; Inert atmosphere;

Reference yield: 82.0%

3-chlorobenzophenone (1016-78-0) + Methyltriphenylphosphonium bromide (1779-49-3) → 1-chloro-3-(1-phenylvinyl)benzene (29265-81-4)

Guidance literature:

Methyltriphenylphosphonium bromide; With n-butyllithium; In tetrahydrofuran; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

3-chlorobenzophenone; In tetrahydrofuran; at 20 ℃; Inert atmosphere; Cooling;

DOI:10.1016/j.tet.2018.11.018

Reference yield: 82.0%

1-bromovinylbenzene (98-81-7) + 3-chlorophenylboronic acid (63503-60-6) → 1-chloro-3-(1-phenylvinyl)benzene (29265-81-4)

Guidance literature:

With potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1021/ol203428c

upstream raw materials:

(E)-4-methyl-N′-(1-phenylethylidene)benzenesulfonohydrazide

3-chlorophenylboronic acid

1-bromovinylbenzene

3'-Chloroacetophenone

Downstream raw materials:

1,1-Difluor-1-(m-chlorphenyl)-2-phenylethan

1-Chloro-3-(1,2-difluoro-1-phenyl-ethyl)-benzene

C₂₆H₂₁ClSi

C₂₆H₂₃ClSi

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