2-[(4-Chlorophenyl)hydrazono]-3-oxo-3-phenylpropanenitrile

Base Information

• Chemical Name: 2-[(4-Chlorophenyl)hydrazono]-3-oxo-3-phenylpropanenitrile
• CAS No.: 22744-17-8
• Molecular Formula: C₁₅H₁₀ClN₃O
• Molecular Weight: 283.717
• DSSTox Substance ID: DTXSID30420797
• ChEMBL ID: CHEMBL3194195
• Mol file: 22744-17-8.mol

Synonyms:2-[(4-chlorophenyl)hydrazono]-3-oxo-3-phenylpropanenitrile;SMR000163064;MLS000545160;(1E)-N-(4-chloroanilino)-2-oxo-2-phenylethanimidoyl cyanide;22744-17-8;AF-886/30569029;2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-phenylpropanenitrile;cid_830566;CHEMBL3194195;BDBM48679;DTXSID30420797;CHEBI:113041;XUVHXSZZCICDTF-XMHGGMMESA-N;N-(4-chloroanilino)-2-oxo-2-phenylethanimidoyl cyanide;2-[(4-chlorophenyl)hydrazono]-3-keto-3-phenyl-propionitrile;2-[(4-chlorophenyl)hydrazinylidene]-3-oxidanylidene-3-phenyl-propanenitrile

Chemical Property of 2-[(4-Chlorophenyl)hydrazono]-3-oxo-3-phenylpropanenitrile

Chemical Property:

• Vapor Pressure: 1.92E-07mmHg at 25°C
• Boiling Point: 425.4°Cat760mmHg
• Flash Point: 211.1°C
• PSA: 65.25000
• Density: 1.23g/cm³
• LogP: 3.58738
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 283.0512396
• Heavy Atom Count: 20
• Complexity: 412

Purity/Quality:

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=C(C=C2)Cl)C#N
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)/C(=N/NC2=CC=C(C=C2)Cl)/C#N

Technology Process of 2-[(4-Chlorophenyl)hydrazono]-3-oxo-3-phenylpropanenitrile

There total 1 articles about 2-[(4-Chlorophenyl)hydrazono]-3-oxo-3-phenylpropanenitrile 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:

→ 2-(4-chloro-phenylhydrazono)-3-oxo-3-phenyl-propionitrile (22744-17-8)

Guidance literature:

aus C6H5COCH2CN, /BRN= 841737/;

Reference yield:

2-(4-chloro-phenylhydrazono)-3-oxo-3-phenyl-propionitrile (22744-17-8) → 4-(4-chloro-phenylazo)-3-phenyl-isoxazol-5-ylamine (55622-08-7)

Guidance literature:

With hydroxylamine hydrochloride; sodium methylate; In methanol; for 12h; Heating;

DOI:10.1021/jo00906a007

Reference yield:

2-(4-chloro-phenylhydrazono)-3-oxo-3-phenyl-propionitrile (22744-17-8) → 4-(4-chloro-phenylazo)-5-phenyl-isoxazol-3-ylamine (55622-03-2)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; for 4h; Heating;

DOI:10.1021/jo00906a007

Downstream raw materials:

4-(4-chloro-phenylazo)-3-phenyl-isoxazol-5-ylamine

4-(4-chloro-phenylazo)-5-phenyl-isoxazol-3-ylamine

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