3-Methyl-2-pentenedioic acid ethyl ester

Base Information

• Chemical Name: 3-Methyl-2-pentenedioic acid ethyl ester
• CAS No.: 130007-49-7
• Molecular Formula: C₈H₁₂O₄
• Molecular Weight: 172.181
• Mol file: 130007-49-7.mol

Synonyms:3-Me-pentenedioic acid-Et;3-methyl-2-pentenedioic acid ethyl ester

Chemical Property of 3-Methyl-2-pentenedioic acid ethyl ester

Chemical Property:

• Vapor Pressure: 0.000112mmHg at 25°C
• Boiling Point: 312.9°C at 760 mmHg
• Flash Point: 125.4°C
• PSA: 63.60000
• Density: 1.131g/cm³
• LogP: 0.97050
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 172.07355886
• Heavy Atom Count: 12
• Complexity: 205

Purity/Quality:

99%min ^*data from raw suppliers

5-Ethyl-3-methyl-2-pentenedioicAcidEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=CC(=O)O)C
• Isomeric SMILES: CCOC(=O)C/C(=C/C(=O)O)/C
• Uses: 5-Ethyl-3-methyl-2-pentenedioic Acid Ester is used in the synthesis or preparation of a classical withanolide precursor.

Technology Process of 3-Methyl-2-pentenedioic acid ethyl ester

There total 1 articles about 3-Methyl-2-pentenedioic acid ethyl ester 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:

diethyl 3-methylpent-2-enedioate (924-59-4) → 3-methyl-pentenedioic acid monoethyl ester (130007-49-7)

Guidance literature:

With sodium ethanolate; monoethyl ester of/the/ lower-melting 3-methyl-pentenedioic acid;

Reference yield:

3-methyl-pentenedioic acid monoethyl ester (130007-49-7) → 3-methylpent-2-enedioic acid (372-42-9,15649-56-6,5746-90-7)

Guidance literature:

With potassium hydroxide; 3-methyl-pentenedioic acid ; lower-melting form;

upstream raw materials:

diethyl 3-methylpent-2-enedioate

Downstream raw materials:

3-methylpent-2-enedioic acid