2-Oxo-2-phenylacetaldehyde oxime

Base Information

• Chemical Name: 2-Oxo-2-phenylacetaldehyde oxime
• CAS No.: 532-54-7
• Molecular Formula: C8H7NO2
• Molecular Weight: 149.149
• Hs Code.: 2928000090
• European Community (EC) Number: 208-539-5
• Nikkaji Number: J1.178.813K,J6.989B
• Wikidata: Q76403897
• Mol file: 532-54-7.mol

Synonyms:INAP;isonitrosoacetophenone

Chemical Property of 2-Oxo-2-phenylacetaldehyde oxime

Chemical Property:

• Appearance/Colour: beige to yellowish crystalline powder
• Vapor Pressure: 0.000352mmHg at 25°C
• Melting Point: 123-125 °C
• Refractive Index: 1.543
• Boiling Point: 305.728 °C at 760 mmHg
• PKA: 8.49±0.10(Predicted)
• Flash Point: 138.699 °C
• PSA: 49.66000
• Density: 1.13 g/cm³
• LogP: 1.32930
• Storage Temp.: 2-8°C
• Water Solubility.: SOLUBLE IN COLD WATER
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 149.047678466
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

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

2-Isonitrosoacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 36/37-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C=NO
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)/C=N\O
• Uses: As a reagent for the detection of ferrous ions with which it gives a blue color soluble in chloroform. 2-Isonitrosoacetophenone is used to make a complex with copper and amino acids. These complexes has shown to have more antimicrobial activities against gram positive bacteria than gram negative bacteria and the complexes also have antioxidant activity.

Technology Process of 2-Oxo-2-phenylacetaldehyde oxime

There total 31 articles about 2-Oxo-2-phenylacetaldehyde oxime 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: 97.0%

phenylglyoxal hydrate (1074-12-0) → oxo-phenyl-acetaldehyde oxime (532-54-7)

Guidance literature:

With hydroxylamine hydrochloride; silica gel; at 20 ℃; for 3h; regioselective reaction; Green chemistry;

Reference yield: 91.0%

2,2-dihydroxy-1-phenyl-ethanone (1075-06-5) → oxo-phenyl-acetaldehyde oxime (532-54-7)

Guidance literature:

With hydrogenchloride; acetone oxime; In water; at 50 ℃; for 2h; pH 4;

Reference yield: 90.0%

acetophenone (98-86-2) → oxo-phenyl-acetaldehyde oxime (532-54-7)

Guidance literature:

With chloro-trimethyl-silane; isopentyl nitrite; In dichloromethane; at -20 ℃;

DOI:10.1016/S0040-4039(03)00248-X

upstream raw materials:

phenylglyoxal hydrate

ethyl 3-oxo-3-phenylpropionate

methyl nitrite

acetophenone

Downstream raw materials:

1-phenyl-3-piperidino-propane-1,2-dione-2-oxime

3-diethylamino-1-phenyl-propane-1,2-dione-2-oxime

4-phenylisoxazole

2-amino-3-cyano-5-phenylpyrazine-1-N-oxide

Refernces

• 1、 Tsyganov, Dmitry V.,Samet, Alexander V.,Dorovatovskii, Pavel V.,Khrustalev, Victor N.,Semenov, Victor V.. "Arylglyoxal oximes as putative C-nucleophiles in eliminative nucleophilic substitution process". . p. 296 - 298. Retrieved 2019/06/13.
• 2、 Uysal, ?aban,Erdem Ko?, Ziya. "The synthesis and characterization of (MSalen/salophen/saldeta/salpy) [M=Fe(III) or Cr(III)] capped heteromultinuclear schiff bases-dioxime Ni(II) complexes: Their thermal and magnetic behaviours". . p. 14 - 22. Retrieved 2018/05/03.