(2Z)-3-oxo-N,3-diphenyl-2-(phenylhydrazinylidene)propanethioamide

Base Information

• Chemical Name: (2Z)-3-oxo-N,3-diphenyl-2-(phenylhydrazinylidene)propanethioamide
• CAS No.: 75872-49-0
• Molecular Formula: C₂₁H₁₇N₃OS
• Molecular Weight: 359.451
• NSC Number: 350497
• DSSTox Substance ID: DTXSID60430384
• Mol file: 75872-49-0.mol

Synonyms:MLS003171080;75872-49-0;NSC350497;DTXSID60430384;NSC-350497

Chemical Property of (2Z)-3-oxo-N,3-diphenyl-2-(phenylhydrazinylidene)propanethioamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 514°Cat760mmHg
• Flash Point: 264.7°C
• Density: 1.17g/cm³
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 359.10923335
• Heavy Atom Count: 26
• Complexity: 501

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C(=NNC2=CC=CC=C2)C(=S)NC3=CC=CC=C3
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)/C(=N/NC2=CC=CC=C2)/C(=S)NC3=CC=CC=C3

Technology Process of (2Z)-3-oxo-N,3-diphenyl-2-(phenylhydrazinylidene)propanethioamide

There total 2 articles about (2Z)-3-oxo-N,3-diphenyl-2-(phenylhydrazinylidene)propanethioamide 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%

benzene diazonium chloride (100-34-5) + N-phenyl-3-oxo-3-phenylpropanethioamide (13196-40-2) → 2-Benzoyl-2-(phenylhydrazono)essigsaeurethioanilid (75872-49-0)

Guidance literature:

Reference yield: 71.0%

N-phenyl-3-oxo-3-phenylpropanethioamide (13196-40-2) → 3-Oxo-3,N-diphenyl-2-(phenyl-hydrazono)-thiopropionamide (75872-49-0)

Guidance literature:

DOI:10.1016/0040-4039(80)88002-6

Reference yield: 52.0%

Bestmann ylide (73818-55-0,15596-07-3) + 2-Benzoyl-2-(phenylhydrazono)essigsaeurethioanilid (75872-49-0) → 5,6-Dihydro-1,4-diphenyl-5-(phenylhydrazono)-6-thioxo-2(1H)-pyridinon (75872-50-3)

Guidance literature:

In benzene; for 3h; Heating;

upstream raw materials:

N-phenyl-3-oxo-3-phenylpropanethioamide

benzene diazonium chloride

Downstream raw materials:

5,6-Dihydro-1,4-diphenyl-5-(phenylhydrazono)-6-thioxo-2(1H)-pyridinon

1,4-Diphenyl-5-(phenyl-hydrazono)-6-thioxo-5,6-dihydro-1H-pyridin-2-one

5-Oxo-2,4,7-triphenyl-4,5-dihydro-[1,2,3]thiadiazolo[5,4-b]pyridin-2-ium; bromide