Methyl 3-methyl-2-oxopentanoate

Base Information

• Chemical Name: Methyl 3-methyl-2-oxopentanoate
• CAS No.: 3682-42-6
• Deprecated CAS: 91734-28-0
• Molecular Formula: C₇H₁₂O₃
• Molecular Weight: 144.17
• European Community (EC) Number: 609-297-7
• UNII: 9909D8DVH1
• DSSTox Substance ID: DTXSID10863244
• Nikkaji Number: J109.245F
• Wikidata: Q27272154
• Metabolomics Workbench ID: 47618
• Mol file: 3682-42-6.mol

Synonyms:Methyl 3-methyl-2-oxopentanoate;3682-42-6;Pentanoic acid, 3-methyl-2-oxo-, methyl ester;Methyl 2-oxo-3-methylpentanoate;Methyl 3-methyl-2-oxovalerate;Methyl 2-keto-3-methylvalerate;FEMA No. 3713;Valeric acid, 3-methyl-2-oxo-, methyl ester;Methyl (R)-3-methyl-2-oxopentanoate;UNII-9909D8DVH1;9909D8DVH1;SCHEMBL1087838;FEMA 3713;DTXSID10863244;CHEBI:168918;Methyl 3-methyl-2-oxopentanoate #;LMFA07010933;3-Methyl-2-oxovaleric acid methyl ester;Pentanoic acid,3-methyl-2-oxo-,methyl ester;METHYL 2-OXO-3-METHYLPENTANOATE [FHFI];(+/-)-METHYL 2-OXO-3-METHYLPENTANOATE;EN300-4414546;METHYL 2-OXO-3-METHYLPENTANOATE, (+/-)-;Q27272154

Chemical Property of Methyl 3-methyl-2-oxopentanoate

Chemical Property:

• Vapor Pressure: 0.748mmHg at 25°C
• Refractive Index: 1.413
• Boiling Point: 184°Cat760mmHg
• Flash Point: 66.9°C
• PSA: 43.37000
• Density: 0.993g/cm³
• LogP: 0.77460
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

95% ^*data from raw suppliers

3-METHYL-2-OXOPENTANOIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CCC(C)C(=O)C(=O)OC

Technology Process of Methyl 3-methyl-2-oxopentanoate

There total 2 articles about Methyl 3-methyl-2-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:

(3S,6S)-3-(1'-benzylthio-1'ethylprop-1'-yl)-2,5-dimethoxy-6-isopropyl-3,6-dihydropyrazine (93343-81-8) + methyl iodide (74-88-4) → L-Valine methyl ester (4070-48-8) + methyl 2-oxo-3-methylpentanoate (3682-42-6,91734-28-0) + Z-methyl(R)-2-amino-3-ethyl-3-pentenoate (93343-94-3) + E-methyl(R)-2-amino-3-ethyl-3-pentenoate (93343-93-2)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1016/S0040-4020(01)82426-1

Reference yield:

→ methyl 2-oxo-3-methylpentanoate (3682-42-6,91734-28-0)

Guidance literature:

Methylated acidic fraction of Sporobolomyces odorus AHU 3246, steam-destillation;

upstream raw materials:

(3S,6S)-3-(1'-benzylthio-1'ethylprop-1'-yl)-2,5-dimethoxy-6-isopropyl-3,6-dihydropyrazine

methyl iodide

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