S-Methyl 2,4,6-triethylbenzenecarbothioate

Base Information

• Chemical Name: S-Methyl 2,4,6-triethylbenzenecarbothioate
• CAS No.: 64712-51-2
• Molecular Formula: C14H20OS
• Molecular Weight: 236.378
• DSSTox Substance ID: DTXSID101268315
• Mol file: 64712-51-2.mol

Synonyms:S-Methyl 2,4,6-triethylbenzenecarbothioate;64712-51-2;DTXSID101268315

Chemical Property of S-Methyl 2,4,6-triethylbenzenecarbothioate

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 236.12348643
• Heavy Atom Count: 16
• Complexity: 213

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C(=C1)CC)C(=O)SC)CC

Technology Process of S-Methyl 2,4,6-triethylbenzenecarbothioate

There total 1 articles about S-Methyl 2,4,6-triethylbenzenecarbothioate 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:

2,4,6-triethylbenzoic acid chloride (22019-76-7) + potassium methanethiolate (26385-24-0) → Methyl-2,4,6-Triethylthiobenzoat (64712-51-2)

Guidance literature:

With methylthiol;

DOI:10.1021/ja00485a030

Reference yield:

Methyl-2,4,6-Triethylthiobenzoat (64712-51-2) → 2,4,6-triethylbenzoic acid (92035-96-6)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) nBuLi, THF, hexane, (ii) /BRN= 969135/

2: (i) TMEDA, sBuLi, THF, cyclohexane, (ii) /BRN= 471223/

3: NaH / tetrahydrofuran

With sodium hydride; In tetrahydrofuran;

DOI:10.1021/ja00485a030

Reference yield:

Methyl-2,4,6-Triethylthiobenzoat (64712-51-2) → 2,4,6-Triethyl-thiobenzoic acid S-(1-methyl-2-phenyl-ethyl) ester (67902-82-3)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) nBuLi, THF, hexane, (ii) /BRN= 969135/

2: (i) TMEDA, sBuLi, THF, cyclohexane, (ii) /BRN= 385801/

DOI:10.1021/ja00485a030

upstream raw materials:

2,4,6-triethylbenzoic acid chloride

potassium methanethiolate

Downstream raw materials:

(2,4,6-Triethyl-benzoylsulfanyl)-acetic acid

2,4,6-triethyl-benzenecarbothioic acid S-(2-phenylethyl) ester

2,4,6-Triethyl-thiobenzoic acid S-but-3-enyl ester

2,4,6-Triethyl-thiobenzoic acid S-(2-hydroxy-2-phenyl-butyl) ester