1-(4-Chlorophenyl)ethanone oxime

Base Information

• Chemical Name: 1-(4-Chlorophenyl)ethanone oxime
• CAS No.: 1956-39-4
• Molecular Formula: C8H8 Cl N O
• Molecular Weight: 169.611
• Hs Code.: 2928000090
• NSC Number: 57600
• DSSTox Substance ID: DTXSID601288031
• Wikidata: Q76306550
• ChEMBL ID: CHEMBL136025
• Mol file: 1956-39-4.mol

Synonyms:1956-39-4;1-(4-Chlorophenyl)ethanone oxime;1-(4-chlorophenyl)-1-ethanone oxime;1-(4-Chloro-phenyl)-ethanone oxime;(NE)-N-[1-(4-chlorophenyl)ethylidene]hydroxylamine;4-Chloroacetophenone oxime;(1E)-1-(4-chlorophenyl)ethanone oxime;p-Chloroacetophenone oxime;4'-Chloroacetophenone oxime;1-(4-chlorophenyl)-ethanone oxime;N-[1-(4-chlorophenyl)ethylidene]hydroxylamine;(Z)-N-[1-(4-chlorophenyl)ethylidene]hydroxylamine;SCHEMBL265248;4'-Chloroacetophenoxime;Methyl 4-chlorophenyl ketoxime;NSC 57600;CHEMBL136025;1-(4-Chlorophenyl)ethanoneoxime;KAXTWDXRCMICEQ-POHAHGRESA-N;KAXTWDXRCMICEQ-UXBLZVDNSA-N;DTXSID601288031;HMS1365J04;BAA95639;NSC57600;MFCD00033237;NSC-57600;AKOS000307979;(Z)-1-(4-chlorophenyl)ethanone oxime;(E)-1-(4-chlorophenyl)ethan-1-one oxime;C13043;J-502574;54582-24-0

Chemical Property of 1-(4-Chlorophenyl)ethanone oxime

Chemical Property:

• Vapor Pressure: 0.00246mmHg at 25°C
• Melting Point: 96-98°C
• Boiling Point: 275.5°Cat760mmHg
• Flash Point: 120.4°C
• PSA: 32.59000
• Density: 1.18g/cm³
• LogP: 2.53820
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 169.0294416
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

98%,99%, ^*data from raw suppliers

p-Chloroacetophenoneoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Chlorophenyl)ethanone oxime

There total 12 articles about 1-(4-Chlorophenyl)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: 100.0%

para-chloroacetophenone (99-91-2) → 4-chloroacetophenone oxime (1956-39-4)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In ethanol; water; Reflux;

DOI:10.1021/acs.orglett.5b03462

Reference yield: 98.0%

para-chloroacetophenone (99-91-2) → (E)-1-(4-chlorophenyl)ethanone oxime (1956-39-4)

Guidance literature:

With 3 A molecular sieve; hydroxylamine hydrochloride; at 20 ℃; for 0.25h;

Reference yield: 97.1%

→ 4-chloroacetophenone oxime (1956-39-4)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In ethanol; for 3h; Reflux;

upstream raw materials:

para-chloroacetophenone

1-(4-Chloro-phenyl)-ethanone O-(4,6-dimethyl-pyrimidin-2-yl)-oxime

1-(4-Chloro-phenyl)-ethanone O-(2,6-dimethyl-pyrimidin-4-yl)-oxime

chlorobenzene

Downstream raw materials:

1-(4-chlorophenyl)ethan-1-imine

para-chloroacetophenone

N-(4-chlorophenyl)acetamide

5-(2-hydroxyphenyl)-3-(4-chloro-phenyl)-isoxazole

Refernces

• 1、 Ma, Ruonan,Chen, Xueyuan,Xiao, Zhiyin,Natarajan, Mookan,Lu, Chunxin,Jiang, Xiujuan,Zhong, Wei,Liu, Xiaoming. "Beckmann rearrangement of ketoximes promoted by cyanuric chloride and dimethyl sulfoxide under a mild condition". supporting information. . Retrieved 2021/01/06.
• 2、 Li, Xiaolan,Sun, Kai,Shen, Wenjuan,Zhang, Yong,Lu, Ming-Zhu,Luo, Xuzhong,Luo, Haiqing. "Rhodium(III)-Catalyzed Direct C-H Arylation of Various Acyclic Enamides with Arylsilanes". supporting information. p. 31 - 36. Retrieved 2021/01/09.