1-(2,4-Dichlorophenyl)ethanone oxime

Base Information

• Chemical Name: 1-(2,4-Dichlorophenyl)ethanone oxime
• CAS No.: 71516-67-1
• Molecular Formula: C8H7Cl2NO
• Molecular Weight: 204.056
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID101323860
• ChEMBL ID: CHEMBL3209800
• Mol file: 71516-67-1.mol

Synonyms:1-(2,4-dichlorophenyl)ethanone oxime;71516-67-1;2',4'-Dichloroacetophenone oxime;(NE)-N-[1-(2,4-dichlorophenyl)ethylidene]hydroxylamine;1-(2,4-dichlorophenyl)ethan-1-one oxime;2,4-DICHLOROACETOPHENONE OXIME;MLS000860743;SCHEMBL4306902;CHEMBL3209800;HMS555K12;DTXSID101323860;WCA51667;1-(2,4-dichlorophenyl)ethanoneoxime;MFCD00465889;CCG-250696;SMR000459527;A837220;(Z)-N-[1-(2,4-DICHLOROPHENYL)ETHYLIDENE]HYDROXYLAMINE

Chemical Property of 1-(2,4-Dichlorophenyl)ethanone oxime

Chemical Property:

• Appearance/Colour: white crystals.
• Vapor Pressure: 0.000247mmHg at 25°C
• Melting Point: 148 °C
• Refractive Index: 1.566
• Boiling Point: 311.1 °C at 760 mmHg
• PKA: 10.91±0.70(Predicted)
• Flash Point: 141.9 °C
• PSA: 32.59000
• Density: 1.33 g/cm³
• LogP: 3.19160
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 202.9904692
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

98%min ^*data from raw suppliers

1-(2,4-Dichlorophenyl)ethanoneoxime 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)C1=C(C=C(C=C1)Cl)Cl
• Isomeric SMILES: C/C(=N\O)/C1=C(C=C(C=C1)Cl)Cl
• Uses: 2,4-Dichloroacetophenone Oxime is a useful intermediate for organic synthesis.

Technology Process of 1-(2,4-Dichlorophenyl)ethanone oxime

There total 2 articles about 1-(2,4-Dichlorophenyl)ethanone oxime 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: 99.0%

1-(2,4-dichlorophenyl)ethan-1-one (2234-16-4) → 1-(2,4-dichlorophenyl)ethan-1-one oxime (71516-67-1)

Guidance literature:

With sodium hydroxide; hydroxylamine hydrochloride; In methanol; water;

Reference yield:

→ 1-(2,4-dichlorophenyl)ethan-1-one oxime (71516-67-1)

Guidance literature:

Reference yield: 91.0%

1-(2,4-dichlorophenyl)ethan-1-one oxime (71516-67-1) → 1-(2,4-dichlorophenyl)ethan-1-one (2234-16-4)

Guidance literature:

With hydrogenchloride; sodium chlorite; In water; at 20 ℃; for 0.0833333h;

DOI:10.2174/157017861201150112125024

upstream raw materials:

1-(2,4-dichlorophenyl)ethan-1-one

Downstream raw materials:

1-(2,4-Dichloro-phenyl)-ethanone O-[1-(2,4-dichloro-phenyl)-eth-(E)-ylideneaminooxymethyl]-oxime

N-(2,4-dichlorophenyl)acetamide

3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid {2-[1-(2,4-dichloro-phenyl)-eth-(E)-ylideneaminooxy]-1-methyl-ethyl}-amide

1-(2,4-dichlorophenyl)ethanone O-(3,5-dinitrophenyl)oxime

Refernces

• 1、 Li, Yongshu,Xu, Nizhou,Mei, Guangyao,Zhao, Yun,Zhao, Yiyong,Lyu, Jinghui,Zhang, Guofu,Ding, Chengrong. "Fe(NO3)3·9H2O-catalyzed aerobic oxidative deoximation of ketoximes and aldoximes under mild conditions". supporting information. p. 810 - 814. Retrieved 2018/08/09.
• 2、 Das, Braja Gopal,Nallagonda, Rajender,Dey, Dhananjay,Ghorai, Prasanta. "Synthesis of Air- and Moisture-Stable, Storable Chiral Oxorhenium Complexes and Their Application as Catalysts for the Enantioselective Imine Reduction". supporting information. p. 12601 - 12605. Retrieved 2015/09/01.