2-Methyl-pentenoic acid ethyl ester

Base Information

• Chemical Name: 2-Methyl-pentenoic acid ethyl ester
• CAS No.: 58625-96-0
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• Mol file: 58625-96-0.mol

Synonyms:2-methyl-pentenoic acid ethyl ester;AKOS017437623;FT-0701130

Chemical Property of 2-Methyl-pentenoic acid ethyl ester

Chemical Property:

• Appearance/Colour: colorless to pale yellow liquid
• Vapor Pressure: 1.39mmHg at 25°C
• Refractive Index: 1.431
• Boiling Point: 171.6 °C at 760 mmHg
• Flash Point: 59.6 °C
• PSA: 26.30000
• Density: 0.902 g/cm³
• LogP: 1.90580
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

ETHYL 2-METHYL-2-PENTENOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=C(C)C(=O)OCC

Technology Process of 2-Methyl-pentenoic acid ethyl ester

There total 4 articles about 2-Methyl-pentenoic 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:

ethyl 2-diethoxyphosphorylpropionate (3699-66-9) + propionaldehyde (123-38-6) → ethyl 2-methyl-2-pentenoate (58625-96-0)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DME, RT, 1 h, 2.) DME, RT, 20 min;

DOI:10.1021/jo00221a021

Reference yield:

propionaldehyde (123-38-6) + 1-ethoxy-1-propyne (14273-06-4) → ethyl 2-methyl-2-pentenoate (58625-96-0)

Guidance literature:

With boron trifluoride diethyl etherate; In diethyl ether;

Reference yield:

→ ethyl 2-methyl-2-pentenoate (58625-96-0)

Guidance literature:

With N,N-diethylaniline;

upstream raw materials:

2-bromo-2-methyl-2-propyl acetic acid ethyl ester

N,N-diethylaniline

propionaldehyde

1-ethoxy-1-propyne

Downstream raw materials:

2-methyl-2-pentenoic acid

3,5-dimethylfuran-2(5H)-one

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