N,2-Dimethyl-N-phenylpropanethioamide

Base Information

• Chemical Name: N,2-Dimethyl-N-phenylpropanethioamide
• CAS No.: 75755-45-2
• Molecular Formula: C11H15NS
• Molecular Weight: 193.313
• DSSTox Substance ID: DTXSID30574840
• Wikidata: Q82464013
• Mol file: 75755-45-2.mol

Synonyms:N,2-Dimethyl-N-phenylpropanethioamide;75755-45-2;DTXSID30574840

Chemical Property of N,2-Dimethyl-N-phenylpropanethioamide

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 193.09252066
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of N,2-Dimethyl-N-phenylpropanethioamide

There total 3 articles about N,2-Dimethyl-N-phenylpropanethioamide 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: 90.0%

2,N-dimethyl-N-phenylpropanamide (55577-65-6) → N,2-dimethyl-N-phenylpropanethioamide (75755-45-2)

Guidance literature:

With Lawessons reagent; In toluene; at 110 ℃; for 5h;

DOI:10.1021/acs.orglett.0c03512

Reference yield:

N-methylaniline (100-61-8) → N,2-dimethyl-N-phenylpropanethioamide (75755-45-2)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 6 h / 0 - 20 °C

2: Lawessons reagent / dichloromethane / 24 h / 20 °C

With Lawessons reagent; triethylamine; In dichloromethane;

DOI:10.1039/c9ob02125f

Reference yield:

N-methylaniline (100-61-8) → N,2-dimethyl-N-phenylpropanethioamide (75755-45-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 88 percent / triethylamine / diethyl ether / 5 h / Ambient temperature

2: 70 percent / P₄S₁₀ / pyridine / 16 h / Heating

With tetraphosphorus decasulfide; triethylamine; In pyridine; diethyl ether;

DOI:10.1002/hlca.19830660126

upstream raw materials:

2,N-dimethyl-N-phenylpropanamide

N-methylaniline

Downstream raw materials:

1-(1-chloro-2-methylprop-1-enyl)-N-methyl-N-phenylamine

2,2-dimethyl-3-(N-methyl-N-phenylamino)-2H-azirine

3-Aethoxy-5,5-dimethyl-2-(N-methylanilino)-1-pyrrolin-4,4-dicarbonitril

2-isopropyl-benzothiazole