(E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide

Base Information

• Chemical Name: (E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide
• CAS No.: 68029-43-6
• Molecular Formula: C10H6Cl2N2S
• Molecular Weight: 257.143
• NSC Number: 272447

Synonyms:(E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide;68029-43-6;NSC272447;HMS562J05;AKOS001144913;CCG-245042;NSC-272447;Z44343046

Chemical Property of (E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide

Chemical Property:

• Vapor Pressure: 2.18E-07mmHg at 25°C
• Boiling Point: 423.8°Cat760mmHg
• Flash Point: 210.1°C
• Density: 1.489g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 255.9628748
• Heavy Atom Count: 15
• Complexity: 332

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=C1Cl)Cl)C=C(C#N)C(=S)N
• Isomeric SMILES: C1=CC(=C(C=C1Cl)Cl)/C=C(\C#N)/C(=S)N

Technology Process of (E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide

There total 1 articles about (E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enethioamide 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: 97.0%

Cyanothioacetamide (7357-70-2) + 2,4-dichlorobenzaldeyhde (874-42-0) → (Z)-2-Cyano-3-(2,4-dichloro-phenyl)-thioacrylamide (68029-43-6)

Guidance literature:

With Envirocat EPZG; at 25 ℃; for 0.166667h;

DOI:10.1080/00397919708003351

Reference yield: 80.0%

(Z)-2-Cyano-3-(2,4-dichloro-phenyl)-thioacrylamide (68029-43-6) + 6-phenyl-2-thioxo-2,3-dihydropyrimidine-4(5H)-one → 5-(2,4-dichlorophenyl)-7-mercapto-4-phenyl-2-thioxo-1,2,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile

Guidance literature:

With piperidine; In ethanol; for 10h; Reflux;

DOI:10.3987/COM-16-13467

Reference yield: 77.0%

6-Acetyl-1,2,3,4-tetrahydronaphthalene (774-55-0) + (Z)-2-Cyano-3-(2,4-dichloro-phenyl)-thioacrylamide (68029-43-6) → 4-(2,4-dichlorophenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile (1158781-92-0)

Guidance literature:

With ammonium acetate; In ethanol; for 6h; Reflux;

DOI:10.1080/10426500802059885

upstream raw materials:

Cyanothioacetamide

2,4-dichlorobenzaldeyhde

Downstream raw materials:

4-(2,4-dichlorophenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile

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