(1E)-1-hydroxyimino-1-phenylpropan-2-one

Base Information

• Chemical Name: (1E)-1-hydroxyimino-1-phenylpropan-2-one
• CAS No.: 25355-34-4
• Molecular Formula: C9H9 N O2
• Molecular Weight: 163.176
• NSC Number: 32408
• DSSTox Substance ID: DTXSID90423224
• Nikkaji Number: J439.715K
• Mol file: 25355-34-4.mol

Synonyms:(1E)-1-hydroxyimino-1-phenylpropan-2-one;NSC32408;25355-34-4;1-(N-hydroxyimino)-1-phenylpropan-2-one;29024-92-8;SCHEMBL6839865;DTXSID90423224;1-Phenyl-1,2-propanedione 1-oxime;NSC-32408;EN300-307160

Chemical Property of (1E)-1-hydroxyimino-1-phenylpropan-2-one

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 292.5°Cat760mmHg
• Flash Point: 130.7°C
• Density: 1.1g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(=NO)C1=CC=CC=C1
• Isomeric SMILES: CC(=O)/C(=N/O)/C1=CC=CC=C1

Technology Process of (1E)-1-hydroxyimino-1-phenylpropan-2-one

There total 9 articles about (1E)-1-hydroxyimino-1-phenylpropan-2-one 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: 95.0%

1-phenyl-acetone (103-79-7,136675-26-8) → di-tert-butyl thiosulfonate (31562-41-1) + 1-phenyl-propane-1,2-dione 1-oxime (25355-34-4)

Guidance literature:

With hydrogenchloride; tert-Butyl thionitrate; In tetrahydrofuran; at 0 ℃; for 0.6h;

DOI:10.1016/S0040-4039(00)99137-8

Reference yield:

1-phenyl-acetone (103-79-7,136675-26-8) → 1-phenyl-propane-1,2-dione 1-oxime (25355-34-4) + 1-Phenylpropane-1,2-dione (579-07-7)

Guidance literature:

With aluminum (III) chloride; sodium nitrite; In N,N-dimethyl-formamide; at 90 ℃; for 1.5h; Schlenk technique;

DOI:10.1021/acs.orglett.5b03367

Reference yield:

1-phenyl-propan-1-one (93-55-0) → 1-phenyl-propane-1,2-dione 1-oxime (25355-34-4)

Guidance literature:

With chloro-trimethyl-silane; isopentyl nitrite; In dichloromethane; at 20 ℃; for 2.5h;

upstream raw materials:

benzenediazonium

propanone 1-oxime

aniline

1-phenyl-acetone

Downstream raw materials:

2-hydroxy-1-phenylpropylamine

1-Phenylpropane-1,2-dione

benzonitrile

benzoic acid