2-Hydroxyimino-1-phenylbutane-1,3-dione

Base Information

• Chemical Name: 2-Hydroxyimino-1-phenylbutane-1,3-dione
• CAS No.: 6797-44-0
• Molecular Formula: C10H9 N O3
• Molecular Weight: 191.186
• Hs Code.: 2928000090
• European Community (EC) Number: 229-869-6
• Nikkaji Number: J1.178.818A,J146.535J
• Mol file: 6797-44-0.mol

Synonyms:2-hydroxyimino-1-phenylbutane-1,3-dione;6797-44-0;4-hydroxy-3-nitroso-4-phenylbut-3-en-2-one;1-phenyl-1,2,3-butanetrione-2-oxime;Iso-nitrosobenzoyl acetone;1-benzoyl-1-oximinoacetone;JVPIIQSFMRUIAP-UHFFFAOYSA-N;2-oximino-1-phenyl-1,3-butanedione;1-phenyl-butane-1,2,3-trione 2-oxime;2-(hydroxyimino)-1-phenylbutane-1,3-dione;FT-0608214;(E)-2-(hydroxyimino)-1-phenylbutane-1,3-dione

Chemical Property of 2-Hydroxyimino-1-phenylbutane-1,3-dione

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 128-130°C
• Boiling Point: 357.149°C at 760 mmHg
• PKA: 6.15±0.10(Predicted)
• Flash Point: 169.798°C
• PSA: 66.73000
• Density: 1.189g/cm³
• LogP: 1.28850
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 191.058243149
• Heavy Atom Count: 14
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

1-PHENYL-1,2,3-BUTANETRIONE 2-OXIME 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(=C(C1=CC=CC=C1)O)N=O

Technology Process of 2-Hydroxyimino-1-phenylbutane-1,3-dione

There total 6 articles about 2-Hydroxyimino-1-phenylbutane-1,3-dione 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: 92.0%

1-phenylbutan-1,3-dione (93-91-4) → 2-oximino-1-penyl-1,3-butanedione (6797-44-0)

Guidance literature:

With sulfuric acid; silica gel; sodium nitrite; In dichloromethane; at 20 ℃; for 1.5h;

DOI:10.1080/10426500307868

Reference yield:

(Z)-4-hydroxy-4-phenyl-3-buten-2-one (62961-61-9) → 2-oximino-1-penyl-1,3-butanedione (6797-44-0)

Guidance literature:

With perchloric acid; β‐cyclodextrin; sodium nitrite; In water; at 25 ℃; Rate constant;

DOI:10.1021/jo982407g

Reference yield:

ethyl nitrite (109-95-5) + 1-phenylbutan-1,3-dione (93-91-4) → 2-oximino-1-penyl-1,3-butanedione (6797-44-0)

Guidance literature:

upstream raw materials:

ethyl nitrite

1-phenylbutan-1,3-dione

(Z)-4-hydroxy-4-phenyl-3-buten-2-one

ethanol

Downstream raw materials:

1-amino-4-methyl-5-nitroso-2-oxo-6-phenyl-1,2-dihydro-pyridine-3-carbonitrile

5-benzoyl-1-hydroxy-4-methyl-2-pentyl-1H-pyrrole-3-carbaldehyde

5-acetyl-1-hydroxy-2-pentyl-4-phenyl-1H-pyrrole-3-carbaldehyde

2,4-dihydroxy-2-methyl-4-phenyl-pentan-3-one oxime

Refernces

• 1、 Midrier, Camille,Montel, Sonia,Braun, Ralf,Haaf, Klaus,Willms, Lothar,Van Der Lee, Arie,Volle, Jean-Noel,Pirat, Jean-Luc,Virieux, David. "Fosmidomycin analogues with N-hydroxyimidazole and N-hydroxyimidazolone as a chelating unit". . p. 23770 - 23778. Retrieved 2014/07/07.
• 2、 Zolfigol, Mohammad Ali,Ghorbani Choghamarani, Arash. "Silica sulfuric acid/NaNO2 as a novel heterogeneous system for the chemoselective α-nitrosation of β-diketones under mild conditions". . p. 1623 - 1629. Retrieved 2007/10/03.