Thiopivalophenone

Base Information

• Chemical Name: Thiopivalophenone
• CAS No.: 40920-09-0
• Molecular Formula: C11H14S
• Molecular Weight: 178.298
• DSSTox Substance ID: DTXSID10516485
• Nikkaji Number: J793.168I
• Wikidata: Q82377933
• Mol file: 40920-09-0.mol

Synonyms:Thiopivalophenone;40920-09-0;2,2-dimethyl-1-phenylpropane-1-thione;DTXSID10516485

Chemical Property of Thiopivalophenone

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 178.08162162
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Thiopivalophenone

There total 18 articles about Thiopivalophenone 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: 100.0%

trans-3,5-di-tert-butyl-3,5-diphenyl-1,2,4-trithiolane 1,1-dioxide → tert-butyl phenyl thioketone (40920-09-0)

Guidance literature:

In chloroform-d1; for 2.5h; Heating;

DOI:10.1021/jo0354591

Reference yield: 94.0%

(3R,5S)-3,5-Di-tert-butyl-3,5-diphenyl-[1,2,4]trithiolane 1,1-dioxide → tert-butyl phenyl thioketone (40920-09-0)

Guidance literature:

In chloroform; at 20 ℃;

DOI:10.1016/S0040-4039(02)01014-6

Reference yield: 93.0%

(1R,2R,3S,5R)-3,5-Di-tert-butyl-3,5-diphenyl-[1,2,4]trithiolane 1,2-dioxide → tert-butyl phenyl thioketone (40920-09-0)

Guidance literature:

In chloroform-d1; for 7h; Heating;

DOI:10.1016/S0040-4039(02)01014-6 DOI:10.1021/jo0354591

upstream raw materials:

carbon disulfide

bromobenzene

tert-butyl isocyanide

2,2-dimethylpropiophenone

Downstream raw materials:

2-tert-butyl-3,3-dimethyl-2-phenyl-thiirane

2,4,4-Trimethyl-3-phenyl-penten-⁽²⁾

1-(Isopropylthio)-2,2-dimethyl-1-phenylpropan

(3,3-dimethyl-but-1-ynyl)benzene

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