Benzenepropanenitrile, b-oxo-a-[(phenylamino)methylene]-

Base Information

• Chemical Name: Benzenepropanenitrile, b-oxo-a-[(phenylamino)methylene]-
• CAS No.: 6123-64-4
• Molecular Formula: C16H12N2O
• Molecular Weight: 248.284
• Mol file: 6123-64-4.mol

Synonyms:(E)-2-Benzoyl-3-phenylamino-acrylonitrile;2-Anilino-1-benzoyl-1-cyan-aethylen;2-benzoyl-3-phenylaminoacrylonitrile;3-Oxo-3-phenyl-2-(N-phenyl-formimidoyl)-propionitril;2-benzoyl-3-phenylamino-acrylonitrile;3-anilino-2-benzoyl-acrylonitrile;3-Anilino-2-benzoyl-acrylonitril;

Chemical Property of Benzenepropanenitrile, b-oxo-a-[(phenylamino)methylene]-

Chemical Property:

• Melting Point: 159 °C (acetic acid)
• Boiling Point: 398.0±42.0 °C(Predicted)
• PSA: 52.89000
• Density: 1.213±0.06 g/cm3(Predicted)
• LogP: 3.46188

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzenepropanenitrile, b-oxo-a-[(phenylamino)methylene]-

There total 3 articles about Benzenepropanenitrile, b-oxo-a-[(phenylamino)methylene]- 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: 95.0%

Benzoylacetonitrile (614-16-4) + N,N'-diphenylformamidine (864131-95-3) → 3-Anilino-2-benzoyl-propennitril (6123-64-4)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; for 1.5 - 2h; Reflux;

DOI:10.1016/j.bmcl.2008.05.037

Reference yield: 69.0%

Benzoylacetonitrile (614-16-4) + aniline (62-53-3) + trimethyl orthoformate (149-73-5) → 3-Anilino-2-benzoyl-propennitril (6123-64-4)

Guidance literature:

In acetic acid; 1) 30-40 deg C, 2) 100 deg C, 2 h;

Reference yield:

→ 3-Anilino-2-benzoyl-propennitril (6123-64-4)

Guidance literature:

4-Benzoyl-3-carboxy-1-phenyl-pyrazol, Chinolin, Δ;

upstream raw materials:

Benzoylacetonitrile

N,N'-diphenylformamidine

aniline

trimethyl orthoformate

Downstream raw materials:

C₁₆H₈F₅N₃O

C₁₆H₁₁Cl₂N₃O

(5-amino-1-phenyl-1H-pyrazol-4-yl)-phenyl-methanone

3-(5-amino-4-benzoyl-pyrazol-1-yl)-N-cyclopropyl-4-methyl-benzamide