ethyl 2-benzoyl-4-cyano-butanoate

Base Information

• Chemical Name: ethyl 2-benzoyl-4-cyano-butanoate
• CAS No.: 5415-48-5
• Molecular Formula: C14H15 N O3
• Molecular Weight: 245.278
• Hs Code.: 2926909090
• Mol file: 5415-48-5.mol

Synonyms:Butyricacid, 2-benzoyl-4-cyano-, ethyl ester (7CI,8CI); Butyric acid, a-benzoyl-g-cyano-, ethyl ester (4CI); NSC10092

Chemical Property of ethyl 2-benzoyl-4-cyano-butanoate

Chemical Property:

• Vapor Pressure: 8.26E-07mmHg at 25°C
• Boiling Point: 406.2°Cat760mmHg
• Flash Point: 177.7°C
• PSA: 67.16000
• Density: 1.128g/cm³
• LogP: 2.35238

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 2-benzoyl-4-cyanobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ethyl 2-benzoyl-4-cyano-butanoate

There total 3 articles about ethyl 2-benzoyl-4-cyano-butanoate 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:

ethyl 3-oxo-3-phenylpropionate (94-02-0) + acrylonitrile (107-13-1,25014-41-9) → 2-benzoyl-4-cyano-butyric acid ethyl ester (5415-48-5)

Guidance literature:

With sodium ethanolate;

DOI:10.1021/ja01162a068

Reference yield:

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + ethyl 3-oxo-3-phenylpropionate (94-02-0) + acrylonitrile (107-13-1,25014-41-9) → 2-benzoyl-4-cyano-butyric acid ethyl ester (5415-48-5)

Guidance literature:

Reference yield:

→ 2-benzoyl-4-cyano-butyric acid ethyl ester (5415-48-5)

Guidance literature:

Benzoylessigsaeure-ethylester u. Na-Ethylat in abs. A. u. Acrylsaeurenitril;

upstream raw materials:

ethyl 3-oxo-3-phenylpropionate

acrylonitrile

1,4-dioxane

Downstream raw materials:

2-phenyl-2-((trimethylsilyl)oxy)cyclopentanone

2-Hydroxy-2-phenylcyclopentan-1-one

(1RS,2RS)-2-phenyl-2-((trimethylsilyl)oxy)cyclopentanamine

C₁₄H₂₃NOSi

Refernces