N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2,3-diphenylquinoxaline-6-carboxamide

Base Information

• Chemical Name: N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2,3-diphenylquinoxaline-6-carboxamide
• CAS No.: 7047-03-2
• Molecular Formula: C₈H₄BrNS₃
• Molecular Weight: 290.228
• DSSTox Substance ID: DTXSID20414084

Synonyms:7047-03-2;N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2,3-diphenylquinoxaline-6-carboxamide;DTXSID20414084;AKOS002234951;AKOS016091506

Chemical Property of N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2,3-diphenylquinoxaline-6-carboxamide

Chemical Property:

• Vapor Pressure: 6.31E-18mmHg at 25°C
• Boiling Point: 672.1°Cat760mmHg
• Flash Point: 360.3°C
• Density: 1.333g/cm³
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 598.1327168
• Heavy Atom Count: 43
• Complexity: 966

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1NC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5)Cl)C(C#N)C6=CC=C(C=C6)Cl

Technology Process of N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2,3-diphenylquinoxaline-6-carboxamide

There total 2 articles about N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2,3-diphenylquinoxaline-6-carboxamide 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:

(4-bromo-benzoyl)-dithiocarbamic acid methyl ester (7082-91-9) → 5-(4-bromo-phenyl)-[1,2,4]dithiazole-3-thione (7047-03-2)

Guidance literature:

With tetraphosphorus decasulfide; In xylene; Heating;

Reference yield:

→ 5-(4-bromo-phenyl)-[1,2,4]dithiazole-3-thione (7047-03-2)

Guidance literature:

<4-Brom-benzoyl>-dithiocarbamidsaeure-methylester, P2S5, Xylol, Erhitzen;

Reference yield:

5-(4-bromo-phenyl)-[1,2,4]dithiazole-3-thione (7047-03-2) → 5-(4-bromo-phenyl)-[1,2,4]dithiazol-3-one (7047-11-2)

Guidance literature:

With mercury(II) diacetate; In acetic acid; for 12h; Ambient temperature;

upstream raw materials:

(4-bromo-benzoyl)-dithiocarbamic acid methyl ester

Downstream raw materials:

7-(4-bromo-phenyl)-1,4,8-trithia-6-aza-spiro[4.5]deca-2,6,9-triene-2,3,9,10-tetracarboxylic acid tetramethyl ester

5-(4-bromo-phenyl)-[1,2,4]dithiazol-3-one

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