(E)-3-(2-chloro-4-nitrophenyl)prop-2-enoic acid

Base Information

• Chemical Name: (E)-3-(2-chloro-4-nitrophenyl)prop-2-enoic acid
• CAS No.: 21278-67-1
• Molecular Formula: C9H6ClNO4
• Molecular Weight: 227.604
• NSC Number: 129226
• DSSTox Substance ID: DTXSID90419162
• Mol file: 21278-67-1.mol

Synonyms:NSC129226;21278-67-1;2-Chloro-4-nitrocinnamic acid;DTXSID90419162;NSC-129226

Chemical Property of (E)-3-(2-chloro-4-nitrophenyl)prop-2-enoic acid

Chemical Property:

• Vapor Pressure: 4.8E-06mmHg at 25°C
• Boiling Point: 367.4°C at 760 mmHg
• Flash Point: 176°C
• Density: 1.529g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 226.9985354
• Heavy Atom Count: 15
• Complexity: 286

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=C1[N+](=O)[O-])Cl)C=CC(=O)O
• Isomeric SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)/C=C/C(=O)O

Technology Process of (E)-3-(2-chloro-4-nitrophenyl)prop-2-enoic acid

There total 1 articles about (E)-3-(2-chloro-4-nitrophenyl)prop-2-enoic acid 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:

acetic acid (64-19-7,77671-22-8) + 2-Chloro-4-nitro-benzaldehyde; compound with acetic acid → 4-nitrocinnamic acid chloride (21278-67-1)

Guidance literature:

With sodium acetate;

DOI:10.1021/jm00301a025

Reference yield: 74.0%

N'-(1-hydroxy-9H-fluoren-9-ylidene)-4-methylbenzenesulfonohydrazide (1448998-06-8) + 4-nitrocinnamic acid chloride (21278-67-1) → 9-(2-tosylhydrazono)fluoren-1-yl 4-nitrocinnamate

Guidance literature:

N'-(1-hydroxy-9H-fluoren-9-ylidene)-4-methylbenzenesulfonohydrazide; With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃; for 0.25h; Inert atmosphere; Schlenk technique; Glovebox;

4-nitrocinnamic acid chloride; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1016/j.jorganchem.2013.04.045

Reference yield:

4-nitrocinnamic acid chloride (21278-67-1) → N-(p-Fluorsulfonyl-phenyl)-β-(4-amino-2-chlor-phenyl)-propionsaeureamid

Guidance literature:

Multi-step reaction with 2 steps

1: (i) SOCl₂, (ii) /BRN= 2209488/

2: H₂ / PtO₂

With hydrogen; platinum(IV) oxide;

DOI:10.1021/jm00301a025

upstream raw materials:

acetic acid

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