BENZYL 4-BROMOPHENYL SULFIDE

Base Information

• Chemical Name: BENZYL 4-BROMOPHENYL SULFIDE
• CAS No.: 53136-21-3
• Molecular Formula: C13H11BrS
• Molecular Weight: 279.2
• European Community (EC) Number: 665-013-1
• DSSTox Substance ID: DTXSID70400593
• Nikkaji Number: J1.516.195G
• Mol file: 53136-21-3.mol

Synonyms:BENZYL 4-BROMOPHENYL SULFIDE;BENZYL(4-BROMOPHENYL)SULPHIDE

Chemical Property of BENZYL 4-BROMOPHENYL SULFIDE

Chemical Property:

• Melting Point: 64-65 °C
• Boiling Point: 361.8±35.0 °C(Predicted)
• PSA: 25.30000
• Density: 1.43±0.1 g/cm3(Predicted)
• LogP: 4.74140
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 277.97648
• Heavy Atom Count: 15
• Complexity: 169

Purity/Quality:

98.5% ^*data from raw suppliers

Benzyl(4-bromophenyl)sulfane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSC2=CC=C(C=C2)Br

Technology Process of BENZYL 4-BROMOPHENYL SULFIDE

There total 34 articles about BENZYL 4-BROMOPHENYL SULFIDE 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: 99.0%

o-[2-(4-methoxyphenyl)ethynyl]benzoic acid benzyl ester (1207372-96-0) + para-bromobenzenethiol (106-53-6) → 3-(4-methoxyphenyl)-1H-isochromen-1-one (29910-92-7) + 1-benzylsulphanyl-4-bromobenzene (53136-21-3)

Guidance literature:

With (triphenylphosphine)gold(I) chloride; silver trifluoromethanesulfonate; In 1,2-dichloro-ethane; at 80 ℃; for 15h; Inert atmosphere; Darkness;

DOI:10.1016/j.tetlet.2009.11.025

Reference yield: 97.0%

S-(4-bromophenyl)-S-benzyl sulfoxide (92022-45-2) → 1-benzylsulphanyl-4-bromobenzene (53136-21-3)

Guidance literature:

With bromine; triphenylphosphine; copper(I) bromide; In acetonitrile; for 26h; Heating;

DOI:10.1246/cl.2007.1324

Reference yield: 95.0%

bis(4-bromophenyl)disulfide (5335-84-2) + benzyl bromide (100-39-0) → 1-benzylsulphanyl-4-bromobenzene (53136-21-3)

Guidance literature:

With samarium; In methanol; at 20 ℃; for 0.5h;

upstream raw materials:

benzyl chloride

para-bromobenzenethiol

benzyl bromide

carbon monoxide

Downstream raw materials:

1-bromo-4-(phenylmethanesulfonyl)benzene

(R)-benzyl 4'-bromophenyl sulfoxide

C₁₇H₂₁BO₂S

C₁₆H₂₁BO₂SSi

Refernces

• 1、 Wang, Jianqiang,Shi, Fangmin,Dai, Dongyan,Xiong, Liping,Yang, Yongpo. "N-bromosuccinimide/HCl mediated reduction of sulfoxides to sulfides". supporting information. p. 439 - 443. Retrieved 2021/02/03.
• 2、 -. "Photocatalytic synthesis method of aryl thioether and derivatives thereof". Paragraph 0044; 0045; 0046; 0047. . Retrieved 2021/04/03.