ethyl (E)-2-cyano-3-ethyl-2-methylpent-3-enoate

Base Information

• Chemical Name: ethyl (E)-2-cyano-3-ethyl-2-methylpent-3-enoate
• CAS No.: 53608-83-6
• Molecular Formula: C11H17NO2
• Molecular Weight: 195.2582
• NSC Number: 408268,124625
• DSSTox Substance ID: DTXSID90419142

Synonyms:53608-83-6;(E)-2-cyano-3-ethyl-2-methyl-3-pentenoic acid ethyl ester;ethyl (E)-2-cyano-3-ethyl-2-methylpent-3-enoate;NSC124625;DTXSID90419142;NSC408268;NSC-124625;NSC-408268;A829681;Ethyl (3E)-2-cyano-3-ethyl-2-methylpent-3-enoate;ethyl (E)-2-cyano-3-ethyl-2-methyl-pent-3-enoate;Ethyl(3E)-2-cyano-3-ethyl-2-methyl-3-pentenoate

Chemical Property of ethyl (E)-2-cyano-3-ethyl-2-methylpent-3-enoate

Chemical Property:

• Vapor Pressure: 0.00236mmHg at 25°C
• Boiling Point: 288.3°Cat760mmHg
• Flash Point: 131.9°C
• Density: 0.974g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 195.125928785
• Heavy Atom Count: 14
• Complexity: 285

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of ethyl (E)-2-cyano-3-ethyl-2-methylpent-3-enoate

There total 1 articles about ethyl (E)-2-cyano-3-ethyl-2-methylpent-3-enoate 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:

ethyl 2-cyano-3,3-diethylacrylate (868-04-2) → 3-ethyl-2-cyano-2-methyl-pent-3-enoic acid ethyl ester (53608-83-6)

Guidance literature:

With ethanol; sodium ethanolate; at -10 - -5 ℃; und folgenden schnellen Erhitzen mit Methyljodid und Kochen;

Reference yield:

3-ethyl-2-cyano-2-methyl-pent-3-enoic acid ethyl ester (53608-83-6) → 5-(1-ethyl-propenyl)-5-methyl-barbituric acid (1135191-88-6,67050-92-4)

Guidance literature:

With sodium isopropylate; isopropyl alcohol; urea; Erhitzen des Reaktionsprodukts mit wss. HCl;

upstream raw materials:

ethyl 2-cyano-3,3-diethylacrylate

Downstream raw materials:

5-(1-ethyl-propenyl)-5-methyl-barbituric acid

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