4-(Dimethylamino)benzenecarbothioamide

Base Information

• Chemical Name: 4-(Dimethylamino)benzenecarbothioamide
• CAS No.: 4714-69-6
• Molecular Formula: C9H12N2S
• Molecular Weight: 180.274
• Hs Code.: 2930909090
• European Community (EC) Number: 696-649-8
• DSSTox Substance ID: DTXSID50197050
• Mol file: 4714-69-6.mol

Synonyms:4714-69-6;4-(dimethylamino)benzenecarbothioamide;4-Dimethylaminothiobenzamide;4-Dimethylamino-thiobenzamide;4-(dimethylamino)benzene-1-carbothioamide;4-(dimethylamino)thiobenzamide;p-Dimethylaminobenzothiamide;Benzenecarbothioamide, 4-(dimethylamino)-;4-(Dimethylamino)benzothioamide;p-dimethylaminothiobenzamide;4-dimethylamino benzothioamide;p-(Dimethylamino)thiobenzamide;SCHEMBL4051722;DTXSID50197050;MFCD03426573;4-(Dimethylamino)thiobenzamide, 97%;AKOS000218451;NCGC00329376-01;CS-0210349;FT-0720846;EN300-14472;AB01322995-02;AB-131/25126055;J-515257

Chemical Property of 4-(Dimethylamino)benzenecarbothioamide

Chemical Property:

• Vapor Pressure: 0.000463mmHg at 25°C
• Melting Point: 241-245℃
• Boiling Point: 314.6°Cat760mmHg
• Flash Point: 144°C
• PSA: 61.35000
• Density: 1.17g/cm³
• LogP: 2.08710
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble in water.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 180.07211956
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

4-(Dimethylamino)benzenecarbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C(=S)N
• Uses: 4-(Dimethylamino)thiobenzamide is used as pharmaceutical intermediate.

Technology Process of 4-(Dimethylamino)benzenecarbothioamide

There total 8 articles about 4-(Dimethylamino)benzenecarbothioamide 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: 82.9%

O,O-diisopropyl hydrogen phosphorodithioate (107-56-2) + 4-cyano-N,N-dimethylaniline (1197-19-9) → O-methyl-O,O-diisopropylthiophosphate (126683-83-8) + N-diisopropoxythiophosphoryldimethylaminothiobenzamide + 4-(N,N-dimethylamino)thiobenzamide (4714-69-6)

Guidance literature:

In methanol; benzene; at 20 ℃; for 48h; Title compound not separated from byproducts;

Reference yield: 80.0%

4-cyano-N,N-dimethylaniline (1197-19-9) → 4-(N,N-dimethylamino)thiobenzamide (4714-69-6)

Guidance literature:

With magnesium(II) chloride hexahydrate; sodium monohydrogensulphide hydrate; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1016/j.dyepig.2011.05.006

Reference yield: 25.0%

4-dimethylamino-benzaldehyde (100-10-7) → 4-(N,N-dimethylamino)thiobenzamide (4714-69-6)

Guidance literature:

With sulfur; ammonium acetate; In pyridine; Heating;

upstream raw materials:

4-cyano-N,N-dimethylaniline

O,O-diisopropyl hydrogen phosphorodithioate

4-dimethylamino-benzaldehyde

carbon disulfide

Downstream raw materials:

[4-(4-chloro-phenyl)-2-(4-dimethylamino-phenyl)-thiazol-5-yl]-acetic acid

N,N-dimethyl-4-(4-methyl-thiazol-2-yl)-aniline

N,N-dimethyl-4-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-aniline

2-(4-dimethylamino-phenyl)-thiazole-4,5-dione