alpha-Cyano-m-hydroxycinnamic acid

Base Information

• Chemical Name: alpha-Cyano-m-hydroxycinnamic acid
• CAS No.: 54673-07-3
• Molecular Formula: C10H7 N O3
• Molecular Weight: 189.17
• Hs Code.: 2926909090
• Mol file: 54673-07-3.mol

Synonyms:alpha-Cyano-m-hydroxycinnamic acid;EINECS 259-289-9;SCHEMBL2057249

Chemical Property of alpha-Cyano-m-hydroxycinnamic acid

Chemical Property:

• Appearance/Colour: green-yellow crystalline powder
• Vapor Pressure: 5.88E-08mmHg at 25°C
• Melting Point: 232 °C (dec.)(lit.)
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 424.3°C at 760 mmHg
• PKA: 0.60±0.10(Predicted)
• Flash Point: 210.4°C
• PSA: 81.32000
• Density: 1.3175 (rough estimate)
• LogP: 1.38378
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 189.042593085
• Heavy Atom Count: 14
• Complexity: 300

Purity/Quality:

98%,99%, ^*data from raw suppliers

α-Cyano-3-hydroxycinnamicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)O)C(=CC(=O)O)C#N
• Isomeric SMILES: C1=CC(=CC(=C1)O)/C(=C/C(=O)O)/C#N
• Uses: inhibit mitochondrial pyruvate transport

Technology Process of alpha-Cyano-m-hydroxycinnamic acid

There total 6 articles about alpha-Cyano-m-hydroxycinnamic 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:

meta-hydroxybenzaldehyde (100-83-4) → α-cyano-3-hydroxycinnamic acid (54673-07-3)

Guidance literature:

With sodium hydroxide; at 50 ℃;

Reference yield:

meta-hydroxybenzaldehyde (100-83-4) → α-cyano-3-hydroxycinnamic acid (54673-07-3)

Guidance literature:

With ethanol;

Reference yield:

cyanoacetic acid (372-09-8) + meta-hydroxybenzaldehyde (100-83-4) → α-cyano-3-hydroxycinnamic acid (54673-07-3)

Guidance literature:

With acetic acid;

upstream raw materials:

acetic acid

cyanoacetic acid

meta-hydroxybenzaldehyde

Downstream raw materials:

carbon dioxide

(E)-3-(3-hydroxyphenyl)acrylonitrile