O-(2-methoxyphenyl) dimethylcarbamothioate

Base Information

• Chemical Name: O-(2-methoxyphenyl) dimethylcarbamothioate
• CAS No.: 13522-62-8
• Molecular Formula: C10H13 N O2 S
• Molecular Weight: 211.285
• NSC Number: 171513
• DSSTox Substance ID: DTXSID80305722
• Nikkaji Number: J2.453.998I
• Wikidata: Q82052448
• Mol file: 13522-62-8.mol

Synonyms:13522-62-8;NSC171513;DTXSID80305722;NSC-171513;O-(2-methoxyphenyl) dimethylcarbamothioate

Chemical Property of O-(2-methoxyphenyl) dimethylcarbamothioate

Chemical Property:

• Vapor Pressure: 0.00304mmHg at 25°C
• Boiling Point: 284.1°C at 760 mmHg
• Flash Point: 125.6°C
• Density: 1.156g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 211.06669983
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=S)OC1=CC=CC=C1OC

Technology Process of O-(2-methoxyphenyl) dimethylcarbamothioate

There total 3 articles about O-(2-methoxyphenyl) 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: 78.0%

2-methoxy-phenol (90-05-1) + N,N-Dimethylthiocarbamoyl chloride (16420-13-6) → O-(2-methoxyphenyl)-N,N-dimethylthiocarbamate (13522-62-8)

Guidance literature:

2-methoxy-phenol; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃;

N,N-Dimethylthiocarbamoyl chloride; In N,N-dimethyl-formamide; mineral oil; at 0 - 85 ℃; for 1.5h;

DOI:10.1021/acs.orglett.0c00589

Reference yield:

sodium 2-methoxyphenolate (13052-77-2) + N,N-Dimethylthiocarbamoyl chloride (16420-13-6) → O-(2-methoxyphenyl)-N,N-dimethylthiocarbamate (13522-62-8)

Guidance literature:

DOI:10.1021/jo01350a023

Reference yield:

→ O-(2-methoxyphenyl)-N,N-dimethylthiocarbamate (13522-62-8)

Guidance literature:

Me2NC(S)Cl, /BRN= 917830/;

DOI:10.1021/jo00394a050

upstream raw materials:

sodium 2-methoxyphenolate

N,N-Dimethylthiocarbamoyl chloride

2-methoxy-phenol

Downstream raw materials:

C₁₃H₁₀Cl₂O₂S₂

S-(2-methoxyphenyl) N,N-dimethylcarbamothioate

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