4'-Bromo-4-mercaptobiphenyl

Base Information

• Chemical Name: 4'-Bromo-4-mercaptobiphenyl
• CAS No.: 220805-21-0
• Molecular Formula: C₁₂H₉BrS
• Molecular Weight: 265.173
• European Community (EC) Number: 803-103-6
• Nikkaji Number: J1.162.521E
• Mol file: 220805-21-0.mol

Synonyms:4'-Bromo-4-mercaptobiphenyl;220805-21-0;4 inverted exclamation marka-Bromo-4-mercaptobiphenyl;SCHEMBL13429760

Chemical Property of 4'-Bromo-4-mercaptobiphenyl

Chemical Property:

• Melting Point: 149-157°C
• Flash Point: 100℃
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 263.96083
• Heavy Atom Count: 14
• Complexity: 167

Purity/Quality:

98%,99%, ^*data from raw suppliers

4′-Bromo-4-mercaptobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Br)S
• Uses: It is used in functionalization of nanoparticles and assists in formimg self assembled monolayers (SAM)

Technology Process of 4'-Bromo-4-mercaptobiphenyl

There total 6 articles about 4'-Bromo-4-mercaptobiphenyl 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: 70.0%

(4’-bromo-[1,1’-biphenyl]-4-yl)(methyl)sulfane (3393-00-8) → 4'-bromo-4-mercaptobiphenyl (220805-21-0)

Guidance literature:

(4’-bromo-[1,1’-biphenyl]-4-yl)(methyl)sulfane; With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 0.5h;

With calcium hydroxide; In dichloromethane;

With trifluoroacetic anhydride; In dichloromethane; for 1.5h; Heating;

DOI:10.1021/ja051332c

Reference yield:

Ni(2+)*2C6H4BrS(1-) → 1.4-dibromobenzene (106-37-6) + 4,4'-dibromodiphenyl sulfide (3393-78-0) + nickel(II) sulfide + 4'-bromo-4-mercaptobiphenyl (220805-21-0)

Guidance literature:

at 800 ℃; for 1h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.inorgchem.0c01352

Reference yield:

1,4-bromoiodobenzene (589-87-7) → 4'-bromo-4-mercaptobiphenyl (220805-21-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Mg / tetrahydrofuran / 1.17 h

1.2: tetrakis(triphenylphosphine)palladium / tetrahydrofuran / 0.5 h / Heating

2.1: sodium ethanethiolate / dimethylformamide / 6 h / Heating

With magnesium; sodium thioethylate; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1021/ja0565119

upstream raw materials:

(4’-bromo-[1,1’-biphenyl]-4-yl)(methyl)sulfane

1,4-bromoiodobenzene

(4-bromophenyl)thioanisole

4-iodothioanisole

Refernces

• 1、 -. "GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE". Paragraph 00472; 00474. . Retrieved 2021/01/22.
• 2、 -. "GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE". Paragraph 00514; 00515; 00517. . Retrieved 2019/07/17.