Methyl 2-ethyl-3-oxopentanoate

Base Information

• Chemical Name: Methyl 2-ethyl-3-oxopentanoate
• CAS No.: 32493-32-6
• Molecular Formula: C8H14 O3
• Molecular Weight: 158.197
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID90469900
• Mol file: 32493-32-6.mol

Synonyms:methyl 2-ethyl-3-oxopentanoate;32493-32-6;Methyl 2-ethyl-3-oxo-pentanoate;MFCD09954622;2-ethyl-3-oxo-pentanoic acid methyl ester;Pentanoic acid, 2-ethyl-3-oxo-, methyl ester;Methyl2-ethyl-3-oxopentanoate;methyl 2-ethyl-3-oxovalerate;SCHEMBL2564479;DTXSID90469900;CKGAUXMQNDHABI-UHFFFAOYSA-N;AKOS010952320;AT34228;A5820;FT-0718639

Chemical Property of Methyl 2-ethyl-3-oxopentanoate

Chemical Property:

• Boiling Point: 88-93 °C(Press: 11 Torr)
• PKA: 11.89±0.46(Predicted)
• PSA: 43.37000
• Density: 0.979±0.06 g/cm3(Predicted)
• LogP: 1.16470
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-ethyl-3-oxopentanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)CC)C(=O)OC

Technology Process of Methyl 2-ethyl-3-oxopentanoate

There total 6 articles about Methyl 2-ethyl-3-oxopentanoate 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:

methyl propanoyl acetate (30414-53-0) + ethyl iodide (75-03-6) → methyl (2-ethyl)propionylacetate (32493-32-6)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; Heating;

DOI:10.1021/jm049067d

Reference yield:

methyl propanoyl acetate (30414-53-0) → methyl (2-ethyl)propionylacetate (32493-32-6)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; Heating;

DOI:10.1016/j.bmc.2003.11.023

Reference yield:

hex-3-yne (928-49-4) → methyl (2-ethyl)propionylacetate (32493-32-6)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂

In dichloromethane;

DOI:10.1021/jo00967a007

upstream raw materials:

ethyl propanoylacetate

diazomethane

methanol

6-chloro-4,5-diethyl-[1,2,3]oxathiazine 2,2-dioxide

Downstream raw materials:

4-bromo-2-ethyl-3-oxo-pentanoic acid methyl ester

5,6-diethyl-2-phenyl-3-(prop-2-ynyl)-4(3H)-pyrimidinone

1-(3-methyl-1H-indol-2-yl)propan-1-one

C₂₇H₂₄N₄O₄S