4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide

Base Information

• Chemical Name: 4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide
• CAS No.: 21176-96-5
• Molecular Formula: C11H16N2S
• Molecular Weight: 208.327
• DSSTox Substance ID: DTXSID601226053
• ChEMBL ID: CHEMBL1424218
• Mol file: 21176-96-5.mol

Synonyms:4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide;21176-96-5;MLS000679674;CHEMBL1424218;DTXSID601226053;HMS1599N10;HMS2773M10;AKOS000349082;SMR000296926;N,N-dimethyl-p-(dimethylamino)thiobenzamide;SR-01000301154;SR-01000301154-1;4-(dimethylamino)-N,N-dimethylbenzene-1-carbothioamide

Chemical Property of 4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 208.10341969
• Heavy Atom Count: 14
• Complexity: 194

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide

There total 2 articles about 4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide 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: 86.0%

N,N-dimethyl-p-(dimethylamino)benzamide (21566-11-0) → 4-(dimethylamino)-N,N-dimethylbenzothioamide (21176-96-5)

Guidance literature:

With 2C₆H₁₅N*ClH*Cl₂HOPS; In chloroform; for 7h; Reflux;

DOI:10.1134/S1070363208070098

Reference yield: 54.0%

N,N-dimethylammonium chloride (506-59-2) + 4-dimethylamino-benzaldehyde (100-10-7) → 4-(dimethylamino)-N,N-dimethylbenzothioamide (21176-96-5)

Guidance literature:

With sulfur; sodium acetate; In N,N-dimethyl-formamide; at 100 ℃; for 3h;

DOI:10.1055/s-1983-30490

Reference yield:

4-(dimethylamino)-N,N-dimethylbenzothioamide (21176-96-5) + methyl iodide (74-88-4) → S-Methyl-N,N-dimethyl-p-dimethylamino-thiolbenzimidiumiodid (19422-12-9)

Guidance literature:

In diethyl ether;

DOI:10.1021/jm00312a021

upstream raw materials:

N,N-dimethyl-p-(dimethylamino)benzamide

N,N-dimethylammonium chloride

4-dimethylamino-benzaldehyde

Downstream raw materials:

4-dimethylamino[(dimethylamino)methyl]benzene

S-Methyl-N,N-dimethyl-p-dimethylamino-thiolbenzimidiumiodid

trimethyl-(4-trimethylammonio-benzyl)-ammonium; diiodide