cis-3-Hexenyl pyruvate

Base Information

• Chemical Name: cis-3-Hexenyl pyruvate
• CAS No.: 68133-76-6
• Molecular Formula: C9H14O3
• Molecular Weight: 170.208
• Hs Code.: 2918300090
• European Community (EC) Number: 268-703-7
• UNII: 74TLP5254U
• DSSTox Substance ID: DTXSID20887178
• Nikkaji Number: J208.887H
• Wikidata: Q27266303
• Metabolomics Workbench ID: 48143
• Mol file: 68133-76-6.mol

Synonyms:cis-3-Hexenyl pyruvate;68133-76-6;(Z)-3-Hexenyl pyruvate;[(Z)-hex-3-enyl] 2-oxopropanoate;(Z)-Hex-3-enyl pyruvate;Pyruvic Acid cis-3-Hexen-1-yl Ester;3-Hexenyl pyruvate, (3Z)-;Pyruvic acid, 3-hexenyl ester;Propanoic acid, 2-oxo-, (3Z)-3-hexen-1-yl ester;Propanoic acid, 2-oxo-, (3Z)-3-hexenyl ester;PYRUVICACIDCIS-3-HEXEN-1-YLESTER;UNII-74TLP5254U;74TLP5254U;Propanoic acid, 2-oxo-, 3-hexenyl ester, (Z)-;EINECS 268-703-7;cis-3-Hexenylpyruvate;(3Z)-3-hexenyl pyruvate;(Z)-3-hexen-1-yl pyruvate;SCHEMBL808519;(z)-3-hexenyl 2-oxopropanoate;FEMA NO. 3934;FEMA 3934;DTXSID20887178;CHEBI:173782;LKNXTZXOBHAYSR-PLNGDYQASA-N;Pyruvic Acid cis-3-Hexenyl Ester;Pyruvic acid (Z)-3-hexenyl ester;Pyruvic acid cis-3-hexen-1-ylester;(3Z)-3-Hexenyl 2-oxopropanoate #;MFCD00036527;(Z)-hex-3-en-1-yl 2-oxopropanoate;AKOS025295628;3-Hexenyl 2-oxopropanoate, AldrichCPR;(3Z)-hex-3-en-1-yl 2-oxopropanoate;(Z)-3-HEXENYL PYRUVATE [FHFI];2-Oxo-3-hexenyl ester(Z)-Propanoic acid;CS-0454884;P0894;Propanoic acid, 2-oxo-,(3Z)-3-hexen-1-yl ester;Q27266303

Chemical Property of cis-3-Hexenyl pyruvate

Chemical Property:

• Appearance/Colour: light yellow liquid
• Refractive Index: 1.4410 to 1.4430
• Boiling Point: 234.1 °C at 760 mmHg
• Flash Point: 93.4 °C
• PSA: 43.37000
• Density: 0.993 g/cm³
• LogP: 1.47490
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 170.094294304
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

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

cis-3-Hexenyl Pyruvate >95.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCCOC(=O)C(=O)C
• Isomeric SMILES: CC/C=C\CCOC(=O)C(=O)C

Technology Process of cis-3-Hexenyl pyruvate

There total 2 articles about cis-3-Hexenyl 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:

ethyl hexa-2,4-dienoate (2396-84-1) → (E)-hex-3-en-1-yl 2-oxopropanoate (68133-76-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium; ethanol / <80

2: 100 - 120 °C

With ethanol; sodium;

Reference yield:

(E)-3-hexen-1-ol (928-97-2) + 2-oxo-propionic acid (127-17-3) → (E)-hex-3-en-1-yl 2-oxopropanoate (68133-76-6)

Guidance literature:

at 100 - 120 ℃;

Reference yield:

pyruvic acid cis-3-hexen-1-yl ester (68133-76-6) → C9H16O3

Guidance literature:

With C₅₂H₈₉N₂O₁₇⁽¹⁺⁾*CH₃O₃S^(1-); hydrogen; acetic acid; In n-heptane; toluene; at 30 ℃; for 1h; under 15001.5 Torr; enantioselective reaction; Catalytic behavior; Autoclave;

DOI:10.1039/c7cc00892a

upstream raw materials:

(E)-3-hexen-1-ol

2-oxo-propionic acid

ethyl hexa-2,4-dienoate