diethyl 2-(cyanoMethyl)-2-phenylMalonate

Base Information

• Chemical Name: diethyl 2-(cyanoMethyl)-2-phenylMalonate
• CAS No.: 92647-37-5
• Molecular Formula: C15H17NO4
• Molecular Weight: 275.304
• Mol file: 92647-37-5.mol

Synonyms:Malonic acid, (cyanomethyl)phenyl-, diethyl ester;Propanedioic acid, (cyanomethyl)phenyl-, diethyl ester;2-(cyanomethyl)-2-phenylPropanedioic acid 1,3-diethyl ester;

Chemical Property of diethyl 2-(cyanoMethyl)-2-phenylMalonate

Chemical Property:

• Boiling Point: 136-138 °C (1mmHg)
• PSA: 76.39000
• Density: 1.151±0.06 g/cm3 (20 °C, 760 mmHg)
• LogP: 1.96428

Purity/Quality:

2-Cyanomethyl-2-phenylmalonic acid diethyl ester 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of diethyl 2-(cyanoMethyl)-2-phenylMalonate

There total 3 articles about diethyl 2-(cyanoMethyl)-2-phenylMalonate 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: 95.0%

diethyl 2-phenylmalonate (83-13-6) + cyanomethyl bromide (590-17-0) → diethyl (2-cyanomethyl)-2-phenylpropanedioate (92647-37-5)

Guidance literature:

With sodium hydride; In tetrahydrofuran; for 2h;

DOI:10.1039/b711786h

Reference yield:

chloroacetonitrile (107-14-2) + diethyl 2-phenylmalonate (83-13-6) → diethyl (2-cyanomethyl)-2-phenylpropanedioate (92647-37-5)

Guidance literature:

With sodium ethanolate; Diethyl carbonate; Yield given. Multistep reaction; 1.) 60 deg C, 2.) 100 deg C, overnight;

DOI:10.1016/0223-5234(94)90068-X

Reference yield:

→ diethyl (2-cyanomethyl)-2-phenylpropanedioate (92647-37-5)

Guidance literature:

DOI:10.1021/jm00341a015

upstream raw materials:

chloroacetonitrile

diethyl 2-phenylmalonate

cyanomethyl bromide

Downstream raw materials:

3-Phenyl-2-oxo-3-pyrrolidincarbonsaeure-ethylester

4-amino-2-phenylbutanoic acid hydrochloride

3-Phenylpyrrolidine-2-thione

3-carboxy-3-phenylpyrrolidin-2-one