Benzene, 1-chloro-4-(1-phenylethyl)-

Base Information

• Chemical Name: Benzene, 1-chloro-4-(1-phenylethyl)-
• CAS No.: 60617-89-2
• Molecular Formula: C14H13Cl
• Molecular Weight: 216.71
• DSSTox Substance ID: DTXSID50453880
• Nikkaji Number: J45.027H
• Mol file: 60617-89-2.mol

Synonyms:Benzene, 1-chloro-4-(1-phenylethyl)-;60617-89-2;1-chloro-4-(1-phenylethyl)benzene;SCHEMBL686394;DTXSID50453880;1-(4-Chlorophenyl)-1-phenylethane;1-PHENYL-1-PARA-CHLOROPHENYLETHANE

Chemical Property of Benzene, 1-chloro-4-(1-phenylethyl)-

Chemical Property:

• Melting Point: 49 °C
• Boiling Point: 298.8±9.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.094±0.06 g/cm3(Predicted)
• LogP: 4.49180
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 216.0705781
• Heavy Atom Count: 15
• Complexity: 176

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=CC=C1)C2=CC=C(C=C2)Cl

Technology Process of Benzene, 1-chloro-4-(1-phenylethyl)-

There total 12 articles about Benzene, 1-chloro-4-(1-phenylethyl)- 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: 88.0%

bromochlorobenzene (106-39-8) + 1-phenylethyl 2,2,2-trifluoroacetate (1524-12-5) → 1-(p-chlorophenyl)-1-phenylethane (60617-89-2)

Guidance literature:

bromochlorobenzene; With n-butyllithium; In tetrahydrofuran; at -78 ℃; Inert atmosphere;

With zinc(II) chloride; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

1-phenylethyl 2,2,2-trifluoroacetate; With zinc(II) chloride; In toluene; at 50 ℃; for 24h; Inert atmosphere;

DOI:10.1002/anie.201002116

Reference yield: 80.0%

2-methoxy-ethanol (109-86-4,95507-80-5) + p,p'-DDT (50-29-3,29411-63-0) → benzhydryl methyl ether (1016-09-7) + 1-(p-chlorophenyl)-1-phenylethane (60617-89-2)

Guidance literature:

With sodium tetrahydroborate; nickel dichloride; In isopropyl alcohol; for 6h; Further Variations:; Reagents; the ratio of the reagents; Product distribution; Heating;

DOI:10.1080/00397910008087291

Reference yield: 77.0%

bromobenzene (108-86-1,52753-63-6) + 1-(2-bromoethyl)-4-chlorobenzene (6529-53-9) → 1-(p-chlorophenyl)-1-phenylethane (60617-89-2)

Guidance literature:

With nickel(II) iodide; Bathocuproine; tetrabutylammomium bromide; zinc; at 20 ℃; regioselective reaction;

DOI:10.1021/acscatal.7b03388

upstream raw materials:

styrene

chlorobenzene

p,p'-DDT

para-chloroacetophenone

Downstream raw materials:

4-chlorobenzophenone

(E)-1-chloro-4-(2-nitro-1-phenylethenyl)benzene