Hexanoic acid, 2-oxo-, sodium salt (1:1)

Base Information

• Chemical Name: Hexanoic acid, 2-oxo-, sodium salt (1:1)
• CAS No.: 13022-85-0
• Molecular Formula: C6H10 O3 . Na
• Molecular Weight: 152.125
• Hs Code.: 2918300090
• Mol file: 13022-85-0.mol

Synonyms:Hexanoic acid, 2-oxo-, sodium salt (1:1);SCHEMBL2681589;2-Ketohexanoic acid sodium salt, 97.0-103.0%;5F2D20D5-11E9-44FC-AE60-D5BABAAAA0B2

Chemical Property of Hexanoic acid, 2-oxo-, sodium salt (1:1)

Chemical Property:

• Melting Point: 240 °C (dec.)(lit.)
• PSA: 57.20000
• LogP: -0.50440
• Storage Temp.: 2-8°C
• Solubility.: Methanol (Slightly, Sonicated), Water (Slightly)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 153.05276346
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

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

2-Ketohexanoic acid sodium salt 97.0-103.0% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)C(=O)O.[Na]
• Uses: It is reported that 2-Oxohexanoic Acid Sodium Salt induced a high insulin secretion rate and a steep increase in the fluorescence of NADPH in perfused isolated mouse pancreatic islets.

Technology Process of Hexanoic acid, 2-oxo-, sodium salt (1:1)

There total 1 articles about Hexanoic acid, 2-oxo-, sodium salt (1:1) 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: 76.0%

5'-n-butylidenecyclohexanespiro-2'-(1',3'-dioxolan)-4'-one (94034-51-2) → cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 2-oxo-hexanoic acid sodium salt (13022-85-0)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; for 18h; Ambient temperature;

Reference yield: 95.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-oxo-hexanoic acid sodium salt (13022-85-0) → C7H11O4(1-)*Na(1+)

Guidance literature:

With nickel dichloride; In water; pH=7; Reagent/catalyst; Enzymatic reaction;

DOI:10.1021/acscatal.9b01646

Reference yield: 93.0%

2-oxo-hexanoic acid sodium salt (13022-85-0) → (R)-2-hydroxyhexanoic acid (43201-07-6)

Guidance literature:

With phosphate buffer; D-glucose; 2-hydroxyethanethiol; sodium chloride; formate dehydrogenase; 1,4-dihydronicotinamide adenine dinucleotide; benzoylformate reductase; bovine serum albumin; yeast alcohol dehydrogenase; In ethanol; water; toluene; at 30 ℃; for 24h;

upstream raw materials:

5'-n-butylidenecyclohexanespiro-2'-(1',3'-dioxolan)-4'-one

Downstream raw materials:

(R)-2-hydroxyhexanoic acid

α-N-benzyloxyamino-n-hexanoic acid

8-benzyl-2-butyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(7H)-one

2-((3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl)amino)hexanoic acid