3-cyano-2-phenylpropanoic acid

Base Information

• Chemical Name: 3-cyano-2-phenylpropanoic acid
• CAS No.: 442542-97-4
• Molecular Formula: C10H9NO2
• Molecular Weight: 175.187
• Mol file: 442542-97-4.mol

Synonyms:Dimethylborisocyanat;dimethylboron isocyanate;(Dimethyl)isocyanatoboran;

Chemical Property of 3-cyano-2-phenylpropanoic acid

Chemical Property:

• Melting Point: 97 °C(Solv: benzene (71-43-2))
• Boiling Point: 365.4±30.0 °C(Predicted)
• PKA: 3.49±0.10(Predicted)
• PSA: 61.09000
• Density: 1.216±0.06 g/cm3(Predicted)
• LogP: 1.76848

Purity/Quality:

99% ^*data from raw suppliers

3-Cyano-2-phenylpropanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-cyano-2-phenylpropanoic acid

There total 8 articles about 3-cyano-2-phenylpropanoic 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: 97.0%

phenylacetic acid (103-82-2) + cyanomethyl bromide (590-17-0) → (+/-)-3-cyano-2-phenylpropionic acid (442542-97-4)

Guidance literature:

With n-butyllithium; diethylamine; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.3390/molecules13040716

Reference yield: 93.0%

β-(carbomethoxy)-β-phenylpropionitrile (88970-65-4) → (+/-)-3-cyano-2-phenylpropionic acid (442542-97-4)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 4h;

DOI:10.1016/S0957-4166(02)00075-7

Reference yield: 76.0%

4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl 3-cyano-2-phenylpropionate → rac-3-hydroxy-4,4-dimethyl-1-phenyl-2-pyrrolidinone (70006-37-0) + (+/-)-3-cyano-2-phenylpropionic acid (442542-97-4)

Guidance literature:

With lithium hydroxide; dihydrogen peroxide; In 1,4-dioxane; at 20 ℃;

DOI:10.1016/j.tetasy.2003.10.035

upstream raw materials:

β-(carbomethoxy)-β-phenylpropionitrile

phenylacetic acid

cyanomethyl bromide

3-cyano-2-phenyl-propionyl chloride

Downstream raw materials:

(+/-)-4-amino-2-phenylbutanoic acid

3-cyano-2-phenyl-propionyl chloride

N-phthalyl-(+/-)-4-amino-2-phenylbutyric acid

N-phthalyl-(+/-)-4-amino-2-phenylbutyric acid chloride