3-Oximino-2-pentanone

Base Information

• Chemical Name: 3-Oximino-2-pentanone
• CAS No.: 609-29-0
• Molecular Formula: C5H9 N O2
• Molecular Weight: 115.132
• Mol file: 609-29-0.mol

Synonyms:3-Oximino-2-pentanone;2,3-Pentanedione, 3-oxime;BRN 0635886;609-29-0;3-Isonitrosopentan-2-on;SCHEMBL3399929;AKOS006280150;LS-101714

Chemical Property of 3-Oximino-2-pentanone

Chemical Property:

• Vapor Pressure: 0.122mmHg at 25°C
• Melting Point: 58.5°C
• Refractive Index: 1.4538 (estimate)
• Boiling Point: 202.322°C at 760 mmHg
• PKA: 9.46±0.10(Predicted)
• Flash Point: 76.162°C
• PSA: 49.66000
• Density: 1.045g/cm³
• LogP: 0.81560
• 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

2,3-PENTANEDIONE-3-OXIME 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=NO)C(=O)C
• Isomeric SMILES: CC/C(=N\O)/C(=O)C

Technology Process of 3-Oximino-2-pentanone

There total 5 articles about 3-Oximino-2-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: 63.0%

2-Pentanone (107-87-9) → pentane-2,3-dione 3-oxime (609-29-0)

Guidance literature:

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

DOI:10.1016/j.tetasy.2015.01.011

Reference yield:

ethyl 2-ethyl-3-oxobutanoate (607-97-6) → pentane-2,3-dione 3-oxime (609-29-0)

Guidance literature:

With potassium nitrite; sulfuric acid;

Reference yield:

2-Pentanone (107-87-9) + isopentyl nitrite (110-46-3) → pentane-2,3-dione 3-oxime (609-29-0)

Guidance literature:

With hydrogenchloride;

DOI:10.1111/j.1755-0238.2002.tb00216.x

upstream raw materials:

n-Amyl nitrite

2-Pentanone

isopentyl nitrite

ethyl 2-ethyl-3-oxobutanoate

Downstream raw materials:

2-ethyl-3-methylquinoxaline

pentane-2,3-dione dioxime

1H-pyrrole, 2-ethyl-3,4,5-trimethyl-

3-methoxyimino-pentan-2-one

Refernces

• 1、 Laurent,Marsura,Pierre. "Asymmetric induction and reaction of α-hydroxyoximes with phenylmagnesium bromide. Stereoselective syntheses of aziridine alcohols and of azabicyclo[3.1.0]-2-oxo-1,2,3-oxaisothiazolidine derivatives". . p. 1009 - 1017. Retrieved 2007/10/02.