Ethyl 2-cyano-2-ethylbutanoate

Base Information

• Chemical Name: Ethyl 2-cyano-2-ethylbutanoate
• CAS No.: 1619-56-3
• Molecular Formula: C9H15 N O2
• Molecular Weight: 169.224
• European Community (EC) Number: 216-580-5
• NSC Number: 128081
• UNII: 3N8BND6ESL
• DSSTox Substance ID: DTXSID00167268
• Nikkaji Number: J195.242K
• Wikidata: Q83036601

Synonyms:ethyl 2-cyano-2-ethylbutanoate;1619-56-3;Ethyl 2-cyano-2-ethylbutyrate;3N8BND6ESL;Butanoic acid, 2-cyano-2-ethyl-, ethyl ester;EINECS 216-580-5;NSC-128081;2-Cyano-2-ethylbutanoic acid ethyl ester;NSC128081;UNII-3N8BND6ESL;SCHEMBL1963;ethyl2-cyano-2-ethylbutanoate;DTXSID00167268;MFCD00045613;STK506273;AKOS005172393;ETHYL 2-ETHYL-2-CYANOBUTYRATE;NSC 128081;AS-60271;CS-0312889;J-009877;BUTYRIC ACID, 2-CYANO-2-ETHYL-, ETHYL ESTER;BUTYRIC ACID, .ALPHA.-CYANO-.ALPHA.-ETHYL-, ET ESTER

Chemical Property of Ethyl 2-cyano-2-ethylbutanoate

Chemical Property:

• Vapor Pressure: 0.155mmHg at 25°C
• Boiling Point: 214.5°Cat760mmHg
• Flash Point: 90.2°C
• Density: 0.972g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 169.110278721
• Heavy Atom Count: 12
• Complexity: 198

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)(C#N)C(=O)OCC

Technology Process of Ethyl 2-cyano-2-ethylbutanoate

There total 11 articles about Ethyl 2-cyano-2-ethylbutanoate 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: 64.0%

ethyl iodide (75-03-6) + ethyl 2-cyanoacetate (105-56-6) → ethyl 2-ethyl-2-cyanobutyrate (1619-56-3)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 0 - 25 ℃;

DOI:10.1016/S0960-894X(98)00748-3

Reference yield: 56.0%

ethyl bromide (74-96-4) + ethyl 2-cyanoacetate (105-56-6) → ethyl 2-ethyl-2-cyanobutyrate (1619-56-3) + 2-cyano-butyric acid ethyl ester (1619-58-5)

Guidance literature:

With sodium ethanolate; In ethanol; at 20 ℃; for 3h;

DOI:10.1016/S0014-827X(01)01181-8

Reference yield:

ethyl bromide (74-96-4) → ethyl 2-ethyl-2-cyanobutyrate (1619-56-3)

Guidance literature:

With sodium ethanolate; at 70 - 80 ℃;

upstream raw materials:

sodium cyanoacetic acid ethyl ester

ethyl iodide

ethyl 2-cyanoacetate

hydrogenchloride

Downstream raw materials:

acide 5,5-diethyl-4-iminobarbiturique

diethylbarbituric acid

2-ethyl-butyronitrile

2-ethyl-2-cyano-butyric acid

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