Benzenethiol, 4,4'-(1-methylethylidene)bis-

Base Information

• Chemical Name: Benzenethiol, 4,4'-(1-methylethylidene)bis-
• CAS No.: 13222-17-8
• Molecular Formula: C15H16S2
• Molecular Weight: 260.424
• DSSTox Substance ID: DTXSID80449771
• Nikkaji Number: J777.009J
• Wikidata: Q82269286
• Mol file: 13222-17-8.mol

Synonyms:Benzenethiol, 4,4'-(1-methylethylidene)bis-;13222-17-8;SCHEMBL635574;4,4'-isopropylidenedibenzenethiol;DTXSID80449771;DIFMOXDTKAEVHX-UHFFFAOYSA-N;2,2-bis(4-mercaptophenyl)propane;4,4'-propane-2,2-diyldibenzenethiol

Chemical Property of Benzenethiol, 4,4'-(1-methylethylidene)bis-

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 260.06934286
• Heavy Atom Count: 17
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenethiol, 4,4'-(1-methylethylidene)bis-

There total 6 articles about Benzenethiol, 4,4'-(1-methylethylidene)bis- 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: 72.0%

4,4'-isopropylidenebis<<(N,N-dimethylcarbamoyl)thio>benzene> (150909-92-5) → 4,4'-(propane-2,2-diyl)dibenzenethiol (13222-17-8)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; ethanol; at 60 ℃; for 10h;

DOI:10.1021/ja00155a006

Reference yield:

BPA (80-05-7) → 4,4'-(propane-2,2-diyl)dibenzenethiol (13222-17-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) NaH / 1.) THF, DMF, 0 deg C, 30 min, 2.) THF, DMF, RT, 12 h

2: 90 percent / 3 h / 260 °C

3: 72 percent / KOH / ethanol; tetrahydrofuran / 10 h / 60 °C

With potassium hydroxide; sodium hydride; In tetrahydrofuran; ethanol;

DOI:10.1021/ja00155a006

Reference yield:

4,4'-isopropylidenebis<<(N,N-dimethylthiocarbamoyl)oxy>benzene> (150909-91-4) → 4,4'-(propane-2,2-diyl)dibenzenethiol (13222-17-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / 3 h / 260 °C

2: 72 percent / KOH / ethanol; tetrahydrofuran / 10 h / 60 °C

With potassium hydroxide; In tetrahydrofuran; ethanol;

DOI:10.1021/ja00155a006

upstream raw materials:

4,4'-(1-methyl-ethane-1,1-diyl)-bis-aniline

2,2-Diphenylpropane-4,4'-disulfonyl chloride

4,4'-isopropylidenebis<<(N,N-dimethylcarbamoyl)thio>benzene>

BPA

Downstream raw materials:

4,4'-isopropylidenebis-(phenylthioethanol)

4,4'-isopropylidenebis(thiophenoxyacetic acid)

diethyl 4,4'-isopropylidenebis(thiophenoxyacetate)

Refernces

• 1、 Inouye, Masahiko,Miyake, Toshiyuki,Furusyo, Masaru,Nakazumi, Hiroyuki. "Molecular recognition of β-ribofuranosides by synthetic polypyridine-macrocyclic receptors". . p. 12416 - 12425. Retrieved 2007/10/03.