1-[(1Z)-N-Hydroxy-2-oxo-2-phenylethanimidoyl]pyridin-1-ium bromide

Base Information

• Chemical Name: 1-[(1Z)-N-Hydroxy-2-oxo-2-phenylethanimidoyl]pyridin-1-ium bromide
• CAS No.: 5394-00-3
• Molecular Formula: Br*C₁₃H₁₁N₂O₂
• Molecular Weight: 307.147
• DSSTox Substance ID: DTXSID50557216
• NSC Number: 2507
• Mol file: 5394-00-3.mol

Synonyms:5394-00-3;DTXSID50557216;NSC2507;NSC-2507;1-(PHENYLGLYOXYLOYL)PYRIDINIUM BROMIDE, OXIME;1-[(1Z)-N-Hydroxy-2-oxo-2-phenylethanimidoyl]pyridin-1-ium bromide

Chemical Property of 1-[(1Z)-N-Hydroxy-2-oxo-2-phenylethanimidoyl]pyridin-1-ium bromide

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 306.00039
• Heavy Atom Count: 18
• Complexity: 290

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C(=NO)[N+]2=CC=CC=C2.[Br-]
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)/C(=N/O)/[N+]2=CC=CC=C2.[Br-]

Technology Process of 1-[(1Z)-N-Hydroxy-2-oxo-2-phenylethanimidoyl]pyridin-1-ium bromide

There total 6 articles about 1-[(1Z)-N-Hydroxy-2-oxo-2-phenylethanimidoyl]pyridin-1-ium bromide 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: 47.0%

N-phenacylpyridinium bromide (16883-69-5) → N-<2-phenylglyoxylohydroximoyl>-pyridinium bromide (5394-00-3,113572-95-5)

Guidance literature:

With hydrogen bromide; sodium nitrite; In water; at 0 ℃; for 24h;

DOI:10.1016/S0040-4020(01)86196-2

Reference yield:

pyridine (110-86-1) → N-<2-phenylglyoxylohydroximoyl>-pyridinium bromide (5394-00-3,113572-95-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) Et₃N / 1.) Et₂O, 0 deg C, 2.) Et₂O, 0 deg C, 30 min.

2: HBr

With hydrogen bromide; triethylamine;

DOI:10.1016/S0040-4020(01)86196-2

Reference yield:

N-hydroxy-2-oxo-2-phenylethanimidoyl chloride (4937-87-5) → N-<2-phenylglyoxylohydroximoyl>-pyridinium bromide (5394-00-3,113572-95-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) Et₃N / 1.) Et₂O, 0 deg C, 2.) Et₂O, 0 deg C, 30 min.

2: HBr

With hydrogen bromide; triethylamine;

DOI:10.1016/S0040-4020(01)86196-2

upstream raw materials:

N-phenacylpyridinium bromide

isopentyl nitrite

hydrogen bromide

pyridine

Downstream raw materials:

1-(2-phenyl-glyoxylohydroximoyl)-pyridinium betaine

thiophenylhydroxyiminomethylphenylketone

N-phenylaminohydroxyiminomethylphenylketone