1-(2-Chlorophenyl)-2-nitropropene

Base Information

• Chemical Name: 1-(2-Chlorophenyl)-2-nitropropene
• CAS No.: 18982-43-9
• Molecular Formula: C₉H₈ClNO₂
• Molecular Weight: 197.621
• NSC Number: 168624
• Nikkaji Number: J1.591.740G
• Mol file: 18982-43-9.mol

Synonyms:1-(2-chlorophenyl)-2-nitropropene;18982-43-9;1-chloro-2-[(E)-2-nitroprop-1-enyl]benzene;Benzene, 1-chloro-2-(2-nitro-1-propen-1-yl)-;NSC168624;HMS561F12;MFCD00052388;AKOS003237886;NSC-168624;1-(2-Chlorophenyl)-2-nitroprop-1-ene;(E)-beta-Methyl-beta-nitro-2-chlorostyrene;Benzene,1-chloro-2-(2-nitro-1-propen-1-yl)-

Chemical Property of 1-(2-Chlorophenyl)-2-nitropropene

Chemical Property:

• Vapor Pressure: 0.00197mmHg at 25°C
• Melting Point: 41°C
• Boiling Point: 300.7°Cat760mmHg
• Flash Point: 135.7°C
• PSA: 45.82000
• Density: 1.275g/cm³
• LogP: 3.50070
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 197.0243562
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

1-CHLORO-2-(2-NITROPROP-1-ENYL)BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=CC=CC=C1Cl)[N+](=O)[O-]
• Isomeric SMILES: C/C(=C\C1=CC=CC=C1Cl)/[N+](=O)[O-]

Technology Process of 1-(2-Chlorophenyl)-2-nitropropene

There total 3 articles about 1-(2-Chlorophenyl)-2-nitropropene 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: 88.0%

Nitroethane (79-24-3) + 2-CHLOROBENZYLAMINE (89-97-4) → 1ξ-(2-chloro-phenyl)-2-nitro-propene (149312-00-5,18982-43-9)

Guidance literature:

With 4-(4-fluorophenyl)naphthalene-1,2-dione; oxygen; at 80 ℃; for 12h;

DOI:10.1021/acscatal.9b03442

Reference yield:

Nitroethane (79-24-3) + 2-chloro-benzaldehyde (89-98-5) → 1ξ-(2-chloro-phenyl)-2-nitro-propene (149312-00-5,18982-43-9)

Guidance literature:

DOI:10.1021/ja01127a064 DOI:10.1021/ja01138a004

Reference yield:

→ 1ξ-(2-chloro-phenyl)-2-nitro-propene (149312-00-5,18982-43-9)

Guidance literature:

2-Chlor-benzaldehyd, Nitro-ethan, Ammoniumacetat;

upstream raw materials:

Nitroethane

2-chloro-benzaldehyde

2-CHLOROBENZYLAMINE

Downstream raw materials:

2-chlorophenylacetone

N-hydroxy-1-methyl-2-(2-chlorophenyl)ethanamine

ethyl 2,3-dioxobutyrate

4-(2-Chlorphenyl)-2,5-dimethyl-3-pyrrolcarbonsaeure-ethylester

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