N-[2-bromo-1-(4-fluorophenyl)ethylidene]hydroxylamine

Base Information

• Chemical Name: N-[2-bromo-1-(4-fluorophenyl)ethylidene]hydroxylamine
• CAS No.: 334709-76-1
• Molecular Formula: C₈H₇BrFNO
• Molecular Weight: 232.052
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID70381696
• Mol file: 334709-76-1.mol

Synonyms:N-[2-bromo-1-(4-fluorophenyl)ethylidene]hydroxylamine;334709-76-1;2-bromo-1-(4-fluorophenyl)ethanone oxime;2-bromo-1-(4-fluorophenyl)-1-ethanone oxime;DTXSID70381696;2-Bromo-1(4-fluorophenyl)-1-ethanone oxime;FT-0611344;(Z)-2-bromo-1-(4-fluorophenyl)ethanone oxime;A821789;N-[2-bromanyl-1-(4-fluorophenyl)ethylidene]hydroxylamine;2-Isopropoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine

Chemical Property of N-[2-bromo-1-(4-fluorophenyl)ethylidene]hydroxylamine

Chemical Property:

• Vapor Pressure: 0.000882mmHg at 25°C
• Melting Point: 84 °C
• Boiling Point: 291.6°C at 760 mmHg
• Flash Point: 130.2°C
• PSA: 32.59000
• Density: 1.54g/cm³
• LogP: 2.39890
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 230.96950
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

2-BROMO-1-(4-FLUOROPHENYL)-1-ETHANONE OXIME 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=NO)CBr)F

Technology Process of N-[2-bromo-1-(4-fluorophenyl)ethylidene]hydroxylamine

There total 3 articles about N-[2-bromo-1-(4-fluorophenyl)ethylidene]hydroxylamine 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: 68.0%

2-bromo-4'-fluoroacetophenone (403-29-2) → 2-bromo-1-(p-fluorophenyl)ethanone oxime (250579-01-2,334709-76-1)

Guidance literature:

With hydroxylamine hydrochloride; In chloroform; at 20 ℃;

Reference yield:

2-bromo-4'-fluoroacetophenone (403-29-2) → 2-bromo-1-(p-fluorophenyl)ethanone oxime (334709-76-1)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In water;

DOI:10.1021/acs.orglett.2c00024

Reference yield:

1-(4-fluorophenyl)ethanone (403-42-9) → 2-bromo-1-(p-fluorophenyl)ethanone oxime (334709-76-1)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(ll) bromide / chloroform; ethyl acetate

2: sodium acetate; hydroxylamine hydrochloride / water

With hydroxylamine hydrochloride; sodium acetate; copper(ll) bromide; In chloroform; water; ethyl acetate;

DOI:10.1021/acs.orglett.2c00024

upstream raw materials:

1-(4-fluorophenyl)ethanone

2-bromo-4'-fluoroacetophenone

Downstream raw materials:

dimethyl 3-(4-fluorophenyl)-1,2-oxazole-4,5-dicarboxylate