4-Fluoroisonitrosoacetanilide

Base Information

• Chemical Name: 4-Fluoroisonitrosoacetanilide
• CAS No.: 351-09-7
• Molecular Formula: C8H7FN2O2
• Molecular Weight: 182.154
• Hs Code.: 2928000090
• European Community (EC) Number: 670-593-4
• Nikkaji Number: J1.182.396C
• Wikidata: Q76391666
• Mol file: 351-09-7.mol

Synonyms:351-09-7;4-Fluoroisonitrosoacetanilide;(2E)-N-(4-fluorophenyl)-2-(N-hydroxyimino)acetamide;(E)-N-(4-Fluorophenyl)-2-(hydroxyimino)acetamide;SCHEMBL183793;DXSBFTGUEOWLSD-BJMVGYQFSA-N

Chemical Property of 4-Fluoroisonitrosoacetanilide

Chemical Property:

• Melting Point: 162 ºC
• Refractive Index: 1.55
• PKA: 8.77±0.10(Predicted)
• PSA: 61.69000
• Density: 1.3 g/cm³
• LogP: 1.29720
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 182.04915563
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

98%min ^*data from raw suppliers

N-(4-Fluorophenyl)-2-(hydroxyimino)acetamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)C=NO)F
• Isomeric SMILES: C1=CC(=CC=C1NC(=O)/C=N\O)F

Technology Process of 4-Fluoroisonitrosoacetanilide

There total 4 articles about 4-Fluoroisonitrosoacetanilide 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: 91.0%

chloral (75-87-6) + 4-fluoroaniline (371-40-4) → N-(4-fluorophenyl)-2-(hydroxyimino) acetamide (351-09-7)

Guidance literature:

With hydroxylamine hydrochloride; sodium sulfate; In water; for 0.05h; microwave irradiation;

DOI:10.1080/00397919908085998

Reference yield: 85.6%

chloral hydrate (302-17-0) + 4-fluoroaniline (371-40-4) → N-(4-fluorophenyl)-2-(hydroxyimino) acetamide (351-09-7)

Guidance literature:

With hydrogenchloride; hydroxylamine hydrochloride; sodium sulfate; In water; at 85 ℃; for 2h;

DOI:10.1016/j.bmc.2012.06.024

Reference yield:

chloral hydrate (302-17-0) + p-fluoroaniline hydrochloride (2146-07-8) → N-(4-fluorophenyl)-2-(hydroxyimino) acetamide (351-09-7)

Guidance literature:

With hydrogenchloride; sulfuric acid; hydroxylamine hydrochloride; sodium sulfate; In water; at 100 ℃;

DOI:10.1016/j.ejmech.2013.04.001

upstream raw materials:

chloral hydrate

4-fluoroaniline

chloral

p-fluoroaniline hydrochloride

Downstream raw materials:

2-(3-chlorophenyl)-6-fluoroquinoline-4-carboxylic acid

6-fluoro-2-p-tolylquinoline-4-carboxylic acid

2-(2,4-dichlorophenyl)-6-fluoroquinoline-4-carboxylic acid

Refernces

• 1、 Hou, Baolong,Li, Wenyu,Liu, Jianli,Wang, Cuiling,Zhou, Ying. "Synthesis and evaluation of tryptanthrins as antitumor agents". supporting information. . Retrieved 2021/10/01.
• 2、 Patel, Dushyant V.,Patel, Nirav R.,Kanhed, Ashish M.,Teli, Divya M.,Patel, Kishan B.,Gandhi, Pallav M.,Patel, Sagar P.,Chaudhary, Bharat N.,Shah, Dharti B.,Prajapati, Navnit K.,Patel, Kirti V.,Yadav, Mange Ram. "Further Studies on Triazinoindoles as Potential Novel Multitarget-Directed Anti-Alzheimer's Agents". . p. 3557 - 3574. Retrieved 2020/11/18.