S-(4-Methoxyphenyl) 2,2-dimethylpropanethioate

Base Information

• Chemical Name: S-(4-Methoxyphenyl) 2,2-dimethylpropanethioate
• CAS No.: 132381-65-8
• Molecular Formula: C12H16O2S
• Molecular Weight: 224.324
• DSSTox Substance ID: DTXSID80579800
• Wikidata: Q82470424
• Mol file: 132381-65-8.mol

Synonyms:132381-65-8;S-(4-Methoxyphenyl) 2,2-dimethylpropanethioate;DTXSID80579800

Chemical Property of S-(4-Methoxyphenyl) 2,2-dimethylpropanethioate

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 224.08710092
• Heavy Atom Count: 15
• Complexity: 212

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=O)SC1=CC=C(C=C1)OC

Technology Process of S-(4-Methoxyphenyl) 2,2-dimethylpropanethioate

There total 2 articles about S-(4-Methoxyphenyl) 2,2-dimethylpropanethioate 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: 94.0%

trimethylsilyl 2,2-dimethylpropionate (37170-49-3) + 4-methoxyphenyl trimethylsilyl sulfide (38325-58-5) → S-4-methoxyphenyl 2,2-dimethylpropanethioate (132381-65-8)

Guidance literature:

With 4-(trifluoromethyl)benzoic anhydride; silver trifluoromethanesulfonate; titanium tetrachloride; In dichloromethane; for 6h; Ambient temperature;

DOI:10.1246/cl.1992.1747

Reference yield:

4-Methoxybenzenethiol (696-63-9) + pivaloyl chloride (3282-30-2) → S-4-methoxyphenyl 2,2-dimethylpropanethioate (132381-65-8)

Guidance literature:

With pyridine; In tetrahydrofuran; Inert atmosphere;

DOI:10.1039/b900492k

Reference yield: 43.0%

S-4-methoxyphenyl 2,2-dimethylpropanethioate (132381-65-8) → methyl 3-(4-methoxyphenyl)-2,2-dimethylpropanoate (14248-23-8)

Guidance literature:

In benzene; for 50h; Irradiation;

DOI:10.1039/c39900001408

upstream raw materials:

trimethylsilyl 2,2-dimethylpropionate

4-methoxyphenyl trimethylsilyl sulfide

4-Methoxybenzenethiol

pivaloyl chloride

Downstream raw materials:

1-methoxy-4-methylsulfanyl-benzene

methyl 3-(4-methoxyphenyl)-2,2-dimethylpropanoate