Isoamyl pyruvate

Base Information

• Chemical Name: Isoamyl pyruvate
• CAS No.: 7779-72-8
• Molecular Formula: C8H14O3
• Molecular Weight: 158.197
• European Community (EC) Number: 231-934-9
• UNII: FZ347HUW87
• DSSTox Substance ID: DTXSID80228407
• Nikkaji Number: J326.565J
• Wikidata: Q27278328
• Mol file: 7779-72-8.mol

Synonyms:Isoamyl pyruvate;3-Methylbutyl 2-oxopropanoate;Isopentyl pyruvate;7779-72-8;Pyruvic acid, isopentyl ester;FEMA No. 2083;Propanoic acid, 2-oxo-, 3-methylbutyl ester;UNII-FZ347HUW87;FZ347HUW87;EINECS 231-934-9;Isopentyl 2-oxopropanoate;iso-Amyl pyruvate;Brenztraubensaureisoamylester;SCHEMBL996968;ISOAMYL PYRUVATE [FHFI];FEMA 2083;Pyruvic acid 3-methylbutyl ester;DTXSID80228407;CHEBI:173675;ISOPENTYL ALCOHOL, PYRUVATE;Propanoic acid,2-oxo-,3-methylbutyl ester;Q27278328

Chemical Property of Isoamyl pyruvate

Chemical Property:

• Appearance/Colour: Colorless to Faint Yellow
• Vapor Pressure: 0.253mmHg at 25°C
• Refractive Index: n20/D 1.419(lit.)
• Boiling Point: 205.2 °C at 760 mmHg
• Flash Point: 77.1 °C
• PSA: 43.37000
• Density: 0.979 g/cm³
• LogP: 1.16470
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

98%,99%, ^*data from raw suppliers

ISOAMYL PYRUVATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOC(=O)C(=O)C
• Description: May be synthesized by air oxidation of boiling isoamyl lactate; also by reacting methyl magnesium iodide over isoamyl α-hydroxy isobutyrate.

Technology Process of Isoamyl pyruvate

There total 3 articles about Isoamyl pyruvate 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: 86.0%

isopentyl lactate (19329-89-6) → isoamyl pyruvate (7779-72-8)

Guidance literature:

With 4-hydroxy-TEMPO benzoate; sodium acetate; In dichloromethane;

DOI:10.1246/cl.1994.1411

Reference yield:

isopentyl lactate (19329-89-6) → isoamyl pyruvate (7779-72-8) + 2-oxo-propionic acid 3-bromo-3-methyl-butyl ester

Guidance literature:

With hydrogenchloride; sodium hypobromide; In dichloromethane; water; at 25 ℃; for 5h;

DOI:10.1081/SCC-120001505

Reference yield:

isopentyl lactate (19329-89-6) → isoamyl pyruvate (7779-72-8)

Guidance literature:

bei Siedetemperatur;

upstream raw materials:

isopentyl lactate

Downstream raw materials:

α-Hydroxy-α-methyl-1-naphthylessigsaeure

Refernces

• 1、 Inokuchi, Tsutomu,Liu, Ping,Torii, Sigeru. "Oxidations of Dihydroxyalkanoates to Vicinal Tricarbonyl Compounds with a 4-BzoTEMPO-Sodium Bromite System or by Indirect Electrolysis Using 4-BzoTEMPO and Bromide Ion". . p. 1411 - 1414. Retrieved 2007/10/02.