alpha-Cyano-4-phenylcinnamic acid

Base Information

• Chemical Name: alpha-Cyano-4-phenylcinnamic acid
• CAS No.: 63472-31-1
• Molecular Formula: C16H11NO2
• Molecular Weight: 249.26
• European Community (EC) Number: 634-699-4
• Mol file: 63472-31-1.mol

Synonyms:alpha -Cyano-4-phenylcinnamic acid;63472-31-1

Chemical Property of alpha-Cyano-4-phenylcinnamic acid

Chemical Property:

• Melting Point: 272-276 °C
• PSA: 86.30000
• LogP: 1.40770
• Solubility.: isopropanol/THF 2:1: 0.5 g, clear
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 249.078978594
• Heavy Atom Count: 19
• Complexity: 390

Purity/Quality:

98%Min ^*data from raw suppliers

ALPHA-CYANO-4-PHENYLCINNAMIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of alpha-Cyano-4-phenylcinnamic acid

There total 2 articles about alpha-Cyano-4-phenylcinnamic 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:

cyanoacetic acid (372-09-8) + 4-Phenylbenzaldehyde (3218-36-8) → 3--2-cyan-acrylsaeure (63472-31-1)

Guidance literature:

DOI:10.1002/jps.2600660403

Reference yield:

→ 3--2-cyan-acrylsaeure (63472-31-1)

Guidance literature:

Biphenylyl-(4)-carbaldehyd, Lsg. v. Cyanessigsaeure in wss. NaOH, 40grad, 12 h;

upstream raw materials:

cyanoacetic acid

4-Phenylbenzaldehyde

Refernces