O-naphthalen-2-yl N,N-dimethylcarbamothioate

Base Information

• Chemical Name: O-naphthalen-2-yl N,N-dimethylcarbamothioate
• CAS No.: 2951-24-8
• Molecular Formula: C13H13 N O S
• Molecular Weight: 231.318
• NSC Number: 132347
• DSSTox Substance ID: DTXSID60299731
• Nikkaji Number: J2.307.269F
• Wikidata: Q82042268
• Mol file: 2951-24-8.mol

Synonyms:2951-24-8;O-naphthalen-2-yl N,N-dimethylcarbamothioate;NSC132347;dimethylamino-methanethioic acid O-naphthalen-2-yl ester;DTXSID60299731;O-(2-naphthyl) dimethylthiocarbamate;STK331691;AKOS004907729;NSC-132347;O-naphthalen-2-yl dimethylcarbamothioate;O-(2-naphthyl) N,N-dimethylcarbamothioate;O-(Naphthalen-2-yl) dimethylcarbamothioate;FT-0656419;A819943;N,N-dimethylcarbamothioic acid O-(2-naphthalenyl) ester

Chemical Property of O-naphthalen-2-yl N,N-dimethylcarbamothioate

Chemical Property:

• Vapor Pressure: 9.23E-05mmHg at 25°C
• Boiling Point: 339.4°Cat760mmHg
• Flash Point: 159.1°C
• Density: 1.199g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 231.07178521
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=S)OC1=CC2=CC=CC=C2C=C1

Technology Process of O-naphthalen-2-yl N,N-dimethylcarbamothioate

There total 9 articles about O-naphthalen-2-yl N,N-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: 75.0%

N,N-Dimethylthiocarbamoyl chloride (16420-13-6) + β-naphthol (135-19-3) → O-(naphthalen-2-yl) N,N-dimethylcarbamothioate (2951-24-8)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In N,N-dimethyl-formamide; at 50 ℃; for 14h; Inert atmosphere;

DOI:10.1021/acs.orglett.9b04280

Reference yield:

β-naphthol (135-19-3) → O-(naphthalen-2-yl) N,N-dimethylcarbamothioate (2951-24-8)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydroxide / dichloromethane; water / 1 h / 20 °C / Cooling with ice

2: dichloromethane / 25 °C

3: dimethyl sulfate; water

With water; dimethyl sulfate; sodium hydroxide; In dichloromethane; water;

DOI:10.1080/17415993.2012.688828

Reference yield:

O-2-naphthalenyl-carbonochloridothioate (10506-37-3) → O-(naphthalen-2-yl) N,N-dimethylcarbamothioate (2951-24-8)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 25 °C

2: dimethyl sulfate; water

With water; dimethyl sulfate; In dichloromethane;

DOI:10.1080/17415993.2012.688828

upstream raw materials:

N,N-Dimethylthiocarbamoyl chloride

β-naphthol

sodium 2-naphtholate

O-2-naphthalenyl-carbonochloridothioate

Downstream raw materials:

2-Naphthalenethiol