alpha-Chloro-4-fluorobenzaldoxime

Base Information

• Chemical Name: alpha-Chloro-4-fluorobenzaldoxime
• CAS No.: 42202-95-9
• Molecular Formula: C7H5ClFNO
• Molecular Weight: 173.574
• Hs Code.: 2925290090
• European Community (EC) Number: 672-360-2
• Wikidata: Q107839357
• Mol file: 42202-95-9.mol

Synonyms:alpha-Chloro-4-fluorobenzaldoxime;4-fluoro-N-hydroxybenzenecarboximidoyl chloride;4-fluorobenzoyl chloride oxime;4-fluorobenzohydroximoyl chloride;VDMJCVUEUHKGOY-UHFFFAOYSA-N;SY039703;FT-0694714;4-fluoro-N-hydroxy-Benzenecarboximidoyl chloride;N-Hydroxy-4-fluoro-benzenecarboximidoyl chloride

Chemical Property of alpha-Chloro-4-fluorobenzaldoxime

Chemical Property:

• Vapor Pressure: 0.00357mmHg at 25°C
• Refractive Index: 1.533
• Boiling Point: 269.5 °C at 760 mmHg
• Flash Point: 116.8 °C
• PSA: 32.59000
• Density: 1.32 g/cm³
• LogP: 2.20030
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 173.0043696
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

98.5% ^*data from raw suppliers

α-Chloro-4-fluorobenzaldoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of alpha-Chloro-4-fluorobenzaldoxime

There total 4 articles about alpha-Chloro-4-fluorobenzaldoxime 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: 100.0%

4-fluorobenzaldoxime (459-23-4,7304-35-0) → 4-fluoro-N-hydroxybenzimidoyl chloride (42202-95-9)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; at 50 ℃; for 3h;

DOI:10.1021/jm020248u

Reference yield: 89.0%

→ 4-fluoro-N-hydroxybenzimidoyl chloride (42202-95-9)

Guidance literature:

Reference yield:

4-fluorobenzaldehyde (459-57-4) → 4-fluoro-N-hydroxybenzimidoyl chloride (42202-95-9)

Guidance literature:

Multi-step reaction with 2 steps

1: hydroxylamine*HCl; aq. NaOH / ethanol / 2 h / 20 °C

2: NCS / dimethylformamide / 2 h / 20 °C

With sodium hydroxide; N-chloro-succinimide; hydroxylamine hydrochloride; In ethanol; N,N-dimethyl-formamide;

DOI:10.1021/jm061097o

upstream raw materials:

4-fluorobenzaldoxime

(E)-4-fluorobenzaldehyde oxime

4-fluorobenzaldehyde

Downstream raw materials:

(3aR,11aR)-3-(4-Fluoro-phenyl)-3a,4,11,11a-tetrahydro-1,5,10-trioxa-2-aza-benzo[a]cyclopenta[e]cyclooctene

Acetic acid (2S,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(4-fluoro-N-hydroxy-benzimidoylsulfanyl)-tetrahydro-pyran-3-yl ester

N-Benzyloxycarbonyl-2,2,2-trifluor-1-<3-(4-fluorphenyl)isoxazol-5-yl>ethylamin

N-Benzyloxycarbonyl-3,3,3-trifluor-2-<3-(4-fluorphenyl)isoxazol-5-yl>alanin-methylester

Refernces

• 1、 Ur Rasool, Javeed,Sawhney, Gifty,Shaikh, Majeed,Nalli, Yedukondalu,Madishetti, Sreedhar,Ahmed, Zabeer,Ali, Asif. "Site selective synthesis and anti-inflammatory evaluation of Spiro-isoxazoline stitched adducts of arteannuin B". . . Retrieved 2021/10/16.
• 2、 Gaikwad, Nikhil Baliram,Afroz, Pathan,Ahmad, Mohammad Naiyaz,Kaul, Grace,Shukla, Manjulika,Nanduri, Srinivas,Dasgupta, Arunava,Chopra, Sidharth,Yaddanapudi, Venkata Madhavi. "Design, synthesis, in vitro and in silico evaluation of new 3-phenyl-4,5-dihydroisoxazole-5-carboxamides active against drug-resistant mycobacterium tuberculosis". . . Retrieved 2020/11/24.