ETHYL 4-CYANOACETOACETATE

Base Information

• Chemical Name: ETHYL 4-CYANOACETOACETATE
• CAS No.: 1715-68-0
• Molecular Formula: C7H9NO3
• Molecular Weight: 155.153
• Hs Code.: 2926909090
• Mol file: 1715-68-0.mol

Synonyms:ETHYL 4-CYANOACETOACETATE;Ethyl 4-cyano-3-oxobutanoate

Chemical Property of ETHYL 4-CYANOACETOACETATE

Chemical Property:

• Boiling Point: 228.1±15.0 °C(Predicted)
• PKA: 7.87±0.10(Predicted)
• PSA: 67.16000
• Density: 1.123±0.06 g/cm3(Predicted)
• LogP: 0.42238

Purity/Quality:

99% ^*data from raw suppliers

ETHYL 4-CYANOACETOACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ETHYL 4-CYANOACETOACETATE

There total 1 articles about ETHYL 4-CYANOACETOACETATE 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:

4-bromoethyl acetoacetate (13176-46-0) + sodium cyanide (143-33-9,25596-52-5) → cyanoacetoacetic acid ethyl ester (1715-68-0)

Guidance literature:

Multistep reaction; (i) NaH, (ii) /BRN= 3587243/, (iii) aq. HCl;

DOI:10.1039/c39770000932

Reference yield: 89.0%

cyanoacetoacetic acid ethyl ester (1715-68-0) → (R)-4-cyano-3-hydroxybutyric acid,ethyl ester (141942-85-0)

Guidance literature:

With borane-ammonia complex; In water; at 20 ℃; for 3h; chemoselective reaction; Large scale reaction;

DOI:10.1039/c2gc00006g

Reference yield: 83.1%

cyanoacetoacetic acid ethyl ester (1715-68-0) → (R)-ethyl 4-cyano-3-hydroxybutyrate (141942-85-0)

Guidance literature:

With D-glucose; In phosphate buffer; at 30 ℃; for 24h; pH=7;

DOI:10.1016/j.tetasy.2008.05.003

upstream raw materials:

4-bromoethyl acetoacetate

sodium cyanide

Downstream raw materials:

(R)-ethyl 4-cyano-3-hydroxybutyrate

(R)-4-cyano-3-hydroxybutyric acid,ethyl ester

4-(1H-pyrazol-4-yl)-7-((2-trimethylsilanylethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine