Ethyl 2-cyano-2-methylpropanoate

Base Information

• Chemical Name: Ethyl 2-cyano-2-methylpropanoate
• CAS No.: 1572-98-1
• Molecular Formula: C7H11 N O2
• Molecular Weight: 141.17
• Hs Code.: 29269090
• European Community (EC) Number: 630-890-1
• NSC Number: 402029
• DSSTox Substance ID: DTXSID90322783
• Nikkaji Number: J1.340.644H
• Wikidata: Q72473941
• Mol file: 1572-98-1.mol

Synonyms:1572-98-1;ethyl 2-cyano-2-methylpropanoate;Ethyl 2-Cyano-2-methylpropionate;2-Cyano-2-methylpropionic Acid Ethyl Ester;ethyl 2-cyano-2,2-dimethylacetate;ETHYL 2,2-DIMETHYLCYANOACETATE;Propanoic acid, 2-cyano-2-methyl-, ethyl ester;MFCD00034667;Cyano-dimethyl-acetic acid ethyl ester;2-cyano-2-methylpropanoic acid ethyl ester;Ethyl2-Cyano-2-methylpropionate;NSC402029;SCHEMBL535883;DTXSID90322783;ethyl 2-cyano-2-methyl-propanoate;BCP25584;dimethylcyanoacetic acid ethyl ester;STK506272;AKOS005172392;NSC 402029;NSC-402029;AC-30802;AM807076;AS-31628;SY017225;a-cyano 2-methylpropionic acid ethyl ester;2-Cyano-2-methyl-propionic Acid Ethyl Ester;BB 0254043;CS-0096411;FT-0612091;EN300-132787;A809831

Chemical Property of Ethyl 2-cyano-2-methylpropanoate

Chemical Property:

• Vapor Pressure: 0.438mmHg at 25°C
• Refractive Index: 1.3990-1.4120
• Boiling Point: 194.6°Cat760mmHg
• Flash Point: 79°C
• PSA: 50.09000
• Density: 1.001g/cm³
• LogP: 1.09928
• Storage Temp.: 2-8°C
• Solubility.: Ether
• Water Solubility.: Soluble in ether. Not miscible or difficult to mix with water.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 141.078978594
• Heavy Atom Count: 10
• Complexity: 175

Purity/Quality:

98% ^*data from raw suppliers

Ethyl2,2-Dimethylcyanoacetate ^*data from reagent suppliers

Safty Information:

• Statements: 23/24/25-41-22
• Safety Statements: 26-36/37/39-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)(C)C#N
• Uses: It is employed as a intermediates for pharmaceutical and organic synthesis.

Technology Process of Ethyl 2-cyano-2-methylpropanoate

There total 17 articles about Ethyl 2-cyano-2-methylpropanoate 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: 86.7%

ethyl 2-cyanoacetate (105-56-6) → 2-cyano-2-methyl-propionic acid ethyl ester (1572-98-1)

Guidance literature:

With acetic acid; dimethyl sulfate; In tetrahydrofuran; water;

Reference yield: 85.0%

ethyl 2-cyanoacetate (105-56-6) + methyl iodide (74-88-4) → 2-cyano-2-methyl-propionic acid ethyl ester (1572-98-1)

Guidance literature:

ethyl 2-cyanoacetate; With sodium hydride; In tetrahydrofuran; at 20 ℃; Cooling with ice;

methyl iodide; In tetrahydrofuran; at 20 ℃; for 3h;

Reference yield: 60.0%

ethyl 3-bromo-2-cyano-2-methylpropanoate (109539-54-0) → 2-cyano-2-methyl-propionic acid ethyl ester (1572-98-1) + rac-ethyl 3-cyanobutanoate (22584-00-5) + ethyl 3-cyano-2-methylpropanoate (109539-56-2)

Guidance literature:

With cobalt complex of 2,10-diethyl-3,9-dipropyl-1,4,8,11-tetraazaundeca-1,3,8,10-tetraene-1,11-diol; electrolytic process;

DOI:10.1246/cl.1988.835

upstream raw materials:

ethanol

sodium ethanolate

ethyl 2-cyanopropionate

methyl iodide

Downstream raw materials:

tert-butyl (3S,5S,6S,8S)-8-(3-amino-2,2-dimethyl-3-oxopropylcarbamoyl)-6-hydroxy-3-(4-methoxy-3-(3-methoxypropoxy)benzyl)-2,9-dimethyldecan-5-ylcarbamate

ethyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

3-(tert-Butoxycarbonyl)amino-2,2-dimethylpropanoic Acid

3-amino-2,2-dimethylpropan-1-ol