N,3-diphenylprop-2-ynethioamide

Base Information

• Chemical Name: N,3-diphenylprop-2-ynethioamide
• CAS No.: 14901-33-8
• Molecular Formula: C15H11 N S
• Molecular Weight: 237.325
• NSC Number: 203213
• DSSTox Substance ID: DTXSID80388717
• Nikkaji Number: J113.477I
• Mol file: 14901-33-8.mol

Synonyms:3-Phenylthiopropiolanilide;NIOSH/UK4125000;2-Propynamide, 3-phenyl-1-thio-;UK41250000;Aniline, N-(3-phenyl-1-thion-2-propynyl)-;14901-33-8;N,3-diphenylprop-2-ynethioamide;NSC203213;N,3-Diphenyl-2-propynethioamide;DTXSID80388717;NSC-203213

Chemical Property of N,3-diphenylprop-2-ynethioamide

Chemical Property:

• Vapor Pressure: 1.43E-05mmHg at 25°C
• Boiling Point: 366.8°C at 760 mmHg
• Flash Point: 175.6°C
• Density: 1.21g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 237.06122053
• Heavy Atom Count: 17
• Complexity: 310

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#CC(=S)NC2=CC=CC=C2

Technology Process of N,3-diphenylprop-2-ynethioamide

There total 2 articles about N,3-diphenylprop-2-ynethioamide 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: 75.0%

phenyl isothiocyanate (103-72-0) + phenylacetylene (536-74-3) → Phenylpropiolsaeurethioanilid (14901-33-8)

Guidance literature:

phenylacetylene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 0.5h;

phenyl isothiocyanate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2016.02.034

Reference yield:

(phenylethynyl)sodium (1004-22-4) + phenyl isothiocyanate (103-72-0) → Phenylpropiolsaeurethioanilid (14901-33-8)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01284a048

Reference yield: 54.0%

Phenylpropiolsaeurethioanilid (14901-33-8) → C30H22N2S2

Guidance literature:

With sodium hydroxide; In diethyl ether; water; for 0.5h; Reflux;

DOI:10.1016/j.tetlet.2016.02.034

upstream raw materials:

(phenylethynyl)sodium

phenyl isothiocyanate

phenylacetylene

Downstream raw materials:

N,5-diphenyl-1H-pyrazol-3-amine

5-anilino-1,3-diphenyl-1H-pyrazole

1,5-diphenyl-3-(phenylamino)-1H-pyrazole

3-phenylamino-5-phenylisoxazole

Refernces