3-(4-chlorophenyl)sulfanyl-N-(propan-2-ylideneamino)propanamide

Base Information

• Chemical Name: 3-(4-chlorophenyl)sulfanyl-N-(propan-2-ylideneamino)propanamide
• CAS No.: 5727-80-0
• Molecular Formula: C12H15ClN2OS
• Molecular Weight: 270.7783
• DSSTox Substance ID: DTXSID60410404

Synonyms:5727-80-0;3-(4-chlorophenyl)sulfanyl-N-(propan-2-ylideneamino)propanamide;DTXSID60410404;AKOS003200932

Chemical Property of 3-(4-chlorophenyl)sulfanyl-N-(propan-2-ylideneamino)propanamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.19g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 270.0593620
• Heavy Atom Count: 17
• Complexity: 272

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NNC(=O)CCSC1=CC=C(C=C1)Cl)C

Technology Process of 3-(4-chlorophenyl)sulfanyl-N-(propan-2-ylideneamino)propanamide

There total 3 articles about 3-(4-chlorophenyl)sulfanyl-N-(propan-2-ylideneamino)propanamide 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: 85.0%

(diphenylthiophosphinoyl)acetonitrile (69039-10-7) + methyl iodide (74-88-4) → <2-Cyan-isopropyl>-diphenyl-phosphinsulfid (5727-80-0)

Guidance literature:

With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In acetonitrile; at 20 ℃; for 3h;

DOI:10.1007/BF02498169

Reference yield:

(diphenylthiophosphinoyl)acetonitrile (69039-10-7) → <2-Cyan-isopropyl>-diphenyl-phosphinsulfid (5727-80-0)

Guidance literature:

With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In acetonitrile;

DOI:10.1080/10426509908546313

Reference yield:

→ <2-Cyan-isopropyl>-diphenyl-phosphinsulfid (5727-80-0)

Guidance literature:

Diphenylphosphin, 1.) 2,2'-Azobisisobutyronitril, 90grad, 2.) Schwefel, Bzl.;

DOI:10.1016/S0040-4039(01)99722-9

upstream raw materials:

(diphenylthiophosphinoyl)acetonitrile

methyl iodide

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