2-Hydroxyimino-3-pentanone

Base Information

• Chemical Name: 2-Hydroxyimino-3-pentanone
• CAS No.: 32818-79-4
• Molecular Formula: C5H9 N O2
• Molecular Weight: 115.132
• Hs Code.: 2928000090
• European Community (EC) Number: 251-239-4
• Mol file: 32818-79-4.mol

Synonyms:2-Hydroxyimino-3-pentanone;32818-79-4;Pentane-2,3-dione 2-oxime;2-Oximino-3-pentanone;3-Pentanone, 2-oximino-;2,3-Pentanedione,2-oxime;BRN 0506513;EINECS 251-239-4;(E)-2-(Hydroxyimino)pentan-3-one;71087-73-5;(2E)-2-hydroxyiminopentan-3-one;4-01-00-03661 (Beilstein Handbook Reference);2-(Hydroxyimino)pentan-3-one;SCHEMBL1047100;AKOS006273198;WS-01609;LS-101713;J-018894

Chemical Property of 2-Hydroxyimino-3-pentanone

Chemical Property:

• Vapor Pressure: 0.122mmHg at 25°C
• Boiling Point: 202.322°C at 760 mmHg
• Flash Point: 76.162°C
• PSA: 49.66000
• Density: 1.045g/cm³
• LogP: 0.81560
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 115.063328530
• Heavy Atom Count: 8
• Complexity: 118

Purity/Quality:

98%Min ^*data from raw suppliers

2-Hydroxyimino-3-pentanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C(=NO)C
• Isomeric SMILES: CCC(=O)/C(=N/O)/C
• Uses: 2-Hydroxyimino-3-pentanone is an intermediate in the preparation of indole derivatives. Intermediate in the preparation of indole derivatives.

Technology Process of 2-Hydroxyimino-3-pentanone

There total 9 articles about 2-Hydroxyimino-3-pentanone 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: 89.0%

4-penten-3-one (1629-58-9) → 2-(hydroxyimino)pentan-3-one (32818-79-4)

Guidance literature:

With n-Butyl nitrite; phenylsilane; N,N'-bis(2-ethoxycarbonyl-3-oxobutylidene)ethylenediaminatocobalt(II) complex; In tetrahydrofuran; for 19h; Ambient temperature;

DOI:10.1246/bcsj.64.2948

Reference yield: 65.0%

pentan-3-one (96-22-0) → 2-(hydroxyimino)pentan-3-one (32818-79-4)

Guidance literature:

With hydrogenchloride; sulfuric acid; sodium nitrite; In methanol; diethyl ether; water; at 25 ℃; for 2h;

DOI:10.1016/j.tetasy.2015.01.011

Reference yield:

2,3-Pentanedione (600-14-6) + hydroxylamine hydrochloride (5470-11-1) → 2-(hydroxyimino)pentan-3-one (32818-79-4)

Guidance literature:

With sodium hydroxide; In ethanol; water; at -5 ℃; pH=8.5; pH-value; Temperature; Reagent/catalyst;

upstream raw materials:

n-Amyl nitrite

pentan-3-one

isopentyl nitrite

3-nitro-pent-2-ene

Downstream raw materials:

4-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid benzyl ester

Methyl-2,5-dimethyl-4-ethylpyrrol-3-yl-keton

2,3-Pentanedione

5-ethyl-4-methyl-2-phenyl-oxazole 3-oxide