3-CYANO-BENZENEPROPANOIC ACID

Base Information

• Chemical Name: 3-CYANO-BENZENEPROPANOIC ACID
• CAS No.: 42287-97-8
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.187
• Hs Code.: 2926909090
• Mol file: 42287-97-8.mol

Synonyms:3-(3-Cyanophenyl)propanoicacid;3-(3-Cyanophenyl)propionic acid;3-Cyanohydrocinnamic acid;

Chemical Property of 3-CYANO-BENZENEPROPANOIC ACID

Chemical Property:

• Vapor Pressure: 1.64E-05mmHg at 25°C
• Refractive Index: 1.564
• Boiling Point: 350.4 °C at 760 mmHg
• Flash Point: 165.7 °C
• PSA: 61.09000
• Density: 1.21 g/cm³
• LogP: 1.57548
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

3-Cyano-benzenepropanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-CYANO-BENZENEPROPANOIC ACID

There total 5 articles about 3-CYANO-BENZENEPROPANOIC 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:

(3E)-3-(3-cyanophenyl)acrylic acid (16642-93-6) → 3-(3-cyanophenyl)propanoic acid (42287-97-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate;

DOI:10.1016/S0960-894X(00)00273-0

Reference yield:

3-Cyanobenzaldehyde (24964-64-5) → 3-(3-cyanophenyl)propanoic acid (42287-97-8)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrahydrofuran / Ambient temperature

2: H₂ / 10percent Pd/CaCO₃ / ethanol / 8 h / 2327.2 Torr

3: aq. NaOH / tetrahydrofuran; methanol / 2 h / Ambient temperature

With sodium hydroxide; hydrogen; Lindlar's catalyst; In tetrahydrofuran; methanol; ethanol;

DOI:10.1021/jm970482y

Reference yield:

methyl 3-(3-cyanophenyl) acrylate (52116-81-1) → 3-(3-cyanophenyl)propanoic acid (42287-97-8)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / 10percent Pd/CaCO₃ / ethanol / 8 h / 2327.2 Torr

2: aq. NaOH / tetrahydrofuran; methanol / 2 h / Ambient temperature

With sodium hydroxide; hydrogen; Lindlar's catalyst; In tetrahydrofuran; methanol; ethanol;

DOI:10.1021/jm970482y

upstream raw materials:

3-cyanocinnamic acid

3-(3-cyano-phenyl)-propionic acid methyl ester

(3E)-3-(3-cyanophenyl)acrylic acid

3-Cyanobenzaldehyde

Downstream raw materials:

3-(3-Cyano-phenyl)-propionyl chloride

3-(3-cyano-phenyl)-propionic acid methyl ester

(S)-3-(3-Cyano-phenyl)-2-hydroxy-propionic acid methyl ester