2-Cyano-3-(4-nitrophenyl)acrylamide

Base Information

• Chemical Name: 2-Cyano-3-(4-nitrophenyl)acrylamide
• CAS No.: 55629-54-4
• Molecular Formula: C10H7N3O3
• Molecular Weight: 217.184
• European Community (EC) Number: 688-749-5
• Nikkaji Number: J1.033.393H,J825.848A
• ChEMBL ID: CHEMBL1927369
• Mol file: 55629-54-4.mol

Synonyms:2-cyano-3-(4-nitrophenyl)acrylamide;55629-54-4;alpha-Cyano-4-nitrocinnamamide;(E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide;CHEMBL1927369;AKOS002186911;(e)-2-cyano-3-(4-nitrophenyl)acrylamide;2-CYANO-3-(4-NITRO-PHENYL)-ACRYLAMIDE

Chemical Property of 2-Cyano-3-(4-nitrophenyl)acrylamide

Chemical Property:

• Vapor Pressure: 7.57E-09mmHg at 25°C
• Boiling Point: 465.6°C at 760 mmHg
• Flash Point: 235.4°C
• PSA: 112.70000
• Density: 1.421g/cm³
• LogP: 2.21058
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 217.04874109
• Heavy Atom Count: 16
• Complexity: 367

Purity/Quality:

99% ^*data from raw suppliers

ALPHA-CYANO-4-NITROCINNAMAMIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=C(C#N)C(=O)N)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1/C=C(\C#N)/C(=O)N)[N+](=O)[O-]

Technology Process of 2-Cyano-3-(4-nitrophenyl)acrylamide

There total 14 articles about 2-Cyano-3-(4-nitrophenyl)acrylamide 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%

4-nitrobenzaldehdye (555-16-8) + cyanoacetic acid amide (107-91-5) → p-nitrobenzylidenecyanoacetamide (55629-54-4)

Guidance literature:

With ammonium sulphamate; for 0.00277778h; Microwave irradiation; neat (no solvent);

Reference yield: 96.0%

4-nitrobenzaldehdye (555-16-8) + cyanoacetic acid amide (107-91-5) → 2-cyano-3-(4-nitrophenyl)prop-2-enamide (49678-59-3,55629-54-4)

Guidance literature:

With ammonium acetate; acetic acid; for 0.0111111h; Irradiation;

Reference yield: 92.0%

4-nitrobenzaldehyde dimethyl acetal (881-67-4) + malononitrile (109-77-3) → p-nitrobenzylidenecyanoacetamide (55629-54-4)

Guidance literature:

With acetic acid; In water; at 120 ℃; for 12h;

DOI:10.1002/cctc.201600426

upstream raw materials:

2-Benzoyl-3-(4-nitrophenyl)-2-propenenitrile

cyanoacetic acid amide

4-nitrobenzaldehdye

malononitrile

Downstream raw materials:

2-amino-4-(4-nitro-phenyl)-5,6,7,8-tetrahydro-naphthalene-1,3-dicarbonitrile

2-Amino-4-(4-nitro-phenyl)-5,6,7,8,9,10-hexahydro-benzocyclooctene-1,3-dicarbonitrile

5-Amino-7-(4-nitro-phenyl)-indan-4,6-dicarbonitrile

2-Amino-4-(4-nitro-phenyl)-6,7,8,9-tetrahydro-5H-benzocycloheptene-1,3-dicarbonitrile