ethyl 2-cyano-3-methyl-butanoate

Base Information

• Chemical Name: ethyl 2-cyano-3-methyl-butanoate
• CAS No.: 3213-49-8
• Molecular Formula: C8H13 N O2
• Molecular Weight: 155.197
• Hs Code.: 2926909090
• Mol file: 3213-49-8.mol

Synonyms:Butyricacid, 2-cyano-3-methyl-, ethyl ester (7CI,8CI); Ethyl a-cyanoisovalerate; NSC 79188

Chemical Property of ethyl 2-cyano-3-methyl-butanoate

Chemical Property:

• Vapor Pressure: 0.306mmHg at 25°C
• Refractive Index: 1.4316 (20℃)
• Boiling Point: 201.6°Cat760mmHg
• Flash Point: 82.9°C
• PSA: 50.09000
• Density: 0.98g/cm³
• LogP: 1.34528

Purity/Quality:

99% ^*data from raw suppliers

Ethyl alfa-cyanoisovalerate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ethyl 2-cyano-3-methyl-butanoate

There total 16 articles about ethyl 2-cyano-3-methyl-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: 93.0%

2-iodo-propane (75-30-9) + ethyl 2-cyanoacetate (105-56-6) → ethyl 2-isopropylcyanoacetate (3213-49-8)

Guidance literature:

With potassium carbonate; In acetone; for 48h; Heating / reflux;

Reference yield: 93.0%

ethyl 2-cyanoacetate (105-56-6) + acetone (67-64-1) → ethyl 2-isopropylcyanoacetate (3213-49-8)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; L-proline; In dimethyl sulfoxide; at 25 ℃;

DOI:10.1039/b602696f

Reference yield:

ethyl isopropylidenecyanoacetate (759-58-0) → ethyl 2-isopropylcyanoacetate (3213-49-8)

Guidance literature:

With ethanol; platinum; Hydrogenation;

upstream raw materials:

2-iodo-propane

sodium cyanoacetic acid ethyl ester

n-butyl magnesium bromide

diethyl ether

Downstream raw materials:

6-amino-5-isopropyl-1-methyl-1H-pyrimidine-2,4-dione

2-cyano-3-methyl-butyric acid amide

D,L-valine

2-[2-(4-Chloro-benzenesulfinyl)-ethyl]-2-cyano-3-methyl-butyric acid ethyl ester

Refernces

• 1、 -. "TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR". Paragraph 0125-0127. . Retrieved 2020/05/29.
• 2、 Hu, Chen,Hong, Gang,Qian, Xiaofei,Kim, Kwang Rim,Zhu, Xiaoyan,Wang, Limin. "AlCl3 catalyzed coupling of: N-benzylic sulfonamides with 2-substituted cyanoacetates through carbon-nitrogen bond cleavage". supporting information. p. 4984 - 4991. Retrieved 2017/07/10.