1-Chloro-4-[(2-propenyl)thio]benzene

Base Information

• Chemical Name: 1-Chloro-4-[(2-propenyl)thio]benzene
• CAS No.: 15446-14-7
• Molecular Formula: C9H9 Cl S
• Molecular Weight: 184.689
• NSC Number: 115076
• DSSTox Substance ID: DTXSID90297280
• Nikkaji Number: J1.128.480I
• Wikidata: Q82038302
• Mol file: 15446-14-7.mol

Synonyms:15446-14-7;1-chloro-4-prop-2-enylsulfanylbenzene;1-chloro-4-[(2-propenyl)thio]benzene;Allyl(4-chlorophenyl)sulfane;1-Allylsulfanyl-4-chlorobenzene;NSC115076;starbld0045231;SCHEMBL5854053;DTXSID90297280;NSC-115076;1-Chloro-4-[(prop-2-en-1-yl)sulfanyl]benzene

Chemical Property of 1-Chloro-4-[(2-propenyl)thio]benzene

Chemical Property:

• Vapor Pressure: 0.0468mmHg at 25°C
• Boiling Point: 244.7°C at 760 mmHg
• Flash Point: 101.5°C
• Density: 1.15g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 184.0113492
• Heavy Atom Count: 11
• Complexity: 117

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCSC1=CC=C(C=C1)Cl

Technology Process of 1-Chloro-4-[(2-propenyl)thio]benzene

There total 12 articles about 1-Chloro-4-[(2-propenyl)thio]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: 98.0%

methyl p-chlorobenzenesulphinate (26760-21-4) + allyl-trimethyl-silane (762-72-1) → 1-allylsulfanyl-4-chloro-benzene (15446-14-7)

Guidance literature:

methyl p-chlorobenzenesulphinate; allyl-trimethyl-silane; With trifluoromethylsulfonic anhydride; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

With sodium tetrahydroborate; In methanol; dichloromethane; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1246/cl.200285

Reference yield: 98.0%

allyl alcohol (107-18-6) + p-Chlorothiophenol (106-54-7) → 1-allylsulfanyl-4-chloro-benzene (15446-14-7)

Guidance literature:

With [CpRu(η3-C3H5)QA]PF6; In methanol; at 30 ℃; for 3h; Inert atmosphere;

DOI:10.1039/c0cc00096e

Reference yield: 96.0%

4,4'-dichlorodiphenyl disulfide (1142-19-4) + allyl bromide (106-95-6) → 1-allylsulfanyl-4-chloro-benzene (15446-14-7)

Guidance literature:

4,4'-dichlorodiphenyl disulfide; With zinc; In N,N-dimethyl-formamide; at 110 ℃;

allyl bromide; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

allyl bromide

p-Chlorothiophenol

4,4'-dichlorodiphenyl disulfide

allylsamarium bromide

Downstream raw materials:

cis-5-<<(4-chlorophenyl)thio>methyl>-3-(4-fluorophenyl)-3-<(1H-imidazol-1-yl)methyl>-2-methylisoxazolidine

cis-5-<<(4-chlorophenyl)thio>methyl>-3-<(1H-imidazol-1-yl)methyl>-2-methyl-3-phenylisoxazolidine

cis-3-(4-chlorophenyl)-5-<<(4-chlorophenyl)thio>methyl>-3-<(1H-imidazol-1-yl)methyl>-2-methylisoxazolidine

1-[(3S,5R)-3-(4-Chloro-phenyl)-5-(4-chloro-phenylsulfanylmethyl)-2-methyl-isoxazolidin-3-ylmethyl]-1H-[1,2,4]triazole