2-Cyanocinnamic acid

Base Information

• Chemical Name: 2-Cyanocinnamic acid
• CAS No.: 61147-65-7
• Molecular Formula: C10H7 N O2
• Molecular Weight: 173.171
• Hs Code.: 2926909090
• NSC Number: 100172
• Nikkaji Number: J721.268B
• Wikidata: Q27126436
• Metabolomics Workbench ID: 60389
• Mol file: 61147-65-7.mol

Synonyms:2-cyanocinnamic acid;alpha-cyanocinnamate;alpha-cyanocinnamate, (E)-isomer

Chemical Property of 2-Cyanocinnamic acid

Chemical Property:

• Vapor Pressure: 1.4E-06mmHg at 25°C
• Boiling Point: 383.9°C at 760 mmHg
• Flash Point: 186°C
• PSA: 61.09000
• Density: 1.26g/cm³
• LogP: 1.65608
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.047678466
• Heavy Atom Count: 13
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

(2E)-3-(2-cyanophenyl)prop-2-enoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=CC(=O)O)C#N
• Isomeric SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)C#N

Technology Process of 2-Cyanocinnamic acid

There total 9 articles about 2-Cyanocinnamic 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:

o-formylbenzonitrile (7468-67-9) + diethyl malonate (105-53-3) → 2-cyano-cinnamic acid (61147-65-7)

Guidance literature:

With N-(2-amino ethyl)-3-amino propyl trimethoxysilane functionalized K₁₀ montmorillonite; In neat (no solvent); at 20 ℃; for 12h;

DOI:10.1039/c3dt32495h

Reference yield:

1-Nitroso-2-naphthol (131-91-9) → 2-cyano-cinnamic acid (61147-65-7)

Guidance literature:

With sodium hydroxide; at 70 - 80 ℃; low-melting form; Eintragen von p-Toluolsulfochlorid und Erhitzen auf 100grad;

Reference yield:

2-dichloromethyl-benzonitrile (64148-19-2) → 2-cyano-cinnamic acid (61147-65-7)

Guidance literature:

With sodium acetate; acetic anhydride; at 180 ℃;

upstream raw materials:

2-dichloromethyl-benzonitrile

1,2-naphthoquinone 1-oxime

2-amino-cinnamic acid

alpha-cyanocinnamic acid ethyl ester

Downstream raw materials:

C₁₃H₁₁N₃OS

1-(2-Cyan-phenyl)-7-phenoxy-heptanon-⁽³⁾

1-(2-Cyan-phenyl)-pentanon-⁽³⁾

7-<2-Cyan-phenyl>-5-oxo-heptansaeure-(1)

Refernces