O-(2-acetylphenyl) dimethylcarbamothioate

Base Information

• Chemical Name: O-(2-acetylphenyl) dimethylcarbamothioate
• CAS No.: 14786-83-5
• Molecular Formula: C11H13 N O2 S
• Molecular Weight: 223.296
• NSC Number: 171501
• DSSTox Substance ID: DTXSID10305710
• Wikidata: Q82052432
• Mol file: 14786-83-5.mol

Synonyms:14786-83-5;NSC171501;SCHEMBL16387188;DTXSID10305710;NSC-171501;O-(2-acetylphenyl) dimethylthiocarbamate;O-(2-acetylphenyl) dimethylcarbamothioate

Chemical Property of O-(2-acetylphenyl) dimethylcarbamothioate

Chemical Property:

• Vapor Pressure: 0.000549mmHg at 25°C
• Boiling Point: 311.9°Cat760mmHg
• Flash Point: 142.4°C
• Density: 1.173g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 223.06669983
• Heavy Atom Count: 15
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC=C1OC(=S)N(C)C

Technology Process of O-(2-acetylphenyl) dimethylcarbamothioate

There total 2 articles about O-(2-acetylphenyl) dimethylcarbamothioate 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: 95.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) + N,N-Dimethylthiocarbamoyl chloride (16420-13-6) → O-(2-acetylphenyl) N,N-dimethylcarbamothioate (14786-83-5)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In N,N-dimethyl-formamide; at 50 ℃; for 5h; Inert atmosphere;

DOI:10.1016/j.bmc.2010.05.068

Reference yield:

o-Hydroxyacetophenone sodium salt (49645-89-8) + N,N-Dimethylthiocarbamoyl chloride (16420-13-6) → O-(2-acetylphenyl) N,N-dimethylcarbamothioate (14786-83-5)

Guidance literature:

DOI:10.1021/jo01350a023

Reference yield: 61.0%

O-(2-acetylphenyl) N,N-dimethylcarbamothioate (14786-83-5) → S-2-acetylphenyl N,N-dimethylcarbamothioate (22857-79-0)

Guidance literature:

at 210 ℃; for 0.0833333h; Microwave irradiation;

DOI:10.1016/j.bmc.2010.05.068

upstream raw materials:

o-hydroxyacetophenone

N,N-Dimethylthiocarbamoyl chloride

o-Hydroxyacetophenone sodium salt

Downstream raw materials:

S-2-acetylphenyl N,N-dimethylcarbamothioate

2-hydroxythiochromone

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