o-Chlorobenzaldehyde oxime

Base Information

• Chemical Name: o-Chlorobenzaldehyde oxime
• CAS No.: 3717-28-0
• Molecular Formula: C7H6 Cl N O
• Molecular Weight: 155.584
• Hs Code.: 29280000
• European Community (EC) Number: 223-065-9
• NSC Number: 61415
• DSSTox Substance ID: DTXSID501300842
• Nikkaji Number: J29.548E,J468.100B
• Wikidata: Q76391479
• Mol file: 3717-28-0.mol

Synonyms:o-Chlorobenzaldehyde oxime;o-Chlorobenzaldoxime;(NZ)-N-[(2-chlorophenyl)methylidene]hydroxylamine;(Z)-2-Chlorobenzaldehyde oxime;2-Chlorobenzaldoxime;3717-27-9;chlorobenzaldoxime;2-chlorobenzaldehydeoxime;SCHEMBL1776974;2-Chlorobenzaldehyde (E)-oxime;(1Z)-2-chlorobenzaldehyde oxime;FZIVKDWRLLMSEJ-WEVVVXLNSA-N;DTXSID501300842;3717-26-8;NSC61415;[C(Z)]-2-Chlorobenzaldehyde oxime;NSC-61415;AKOS023707897

Chemical Property of o-Chlorobenzaldehyde oxime

Chemical Property:

• Appearance/Colour: white crystalline needles
• Vapor Pressure: 0.0181mmHg at 25°C
• Melting Point: 72-77 ºC
• Boiling Point: 242.6°Cat760mmHg
• Flash Point: 100.5°C
• PSA: 32.59000
• Density: 1.21g/cm³
• LogP: 2.14810
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Methanol
• Water Solubility.: insoluble
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.0137915
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

98% ^*data from raw suppliers

2-Chlorobenzaldehyde Oxime ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=NO)Cl
• Isomeric SMILES: C1=CC=C(C(=C1)/C=N\O)Cl
• Uses: 2-Chlorobenzaldehyde Oxime is a chemical reagent used in the synthesis of antimicrobial hydroxamates which are potential inhibitors of deoxy-D-xylulose 5-phosphate synthase inhibiting growth of influenzae. Also used in the preparation ofsubstituted oxazole based firefly luciferase inhibitors. 2-Chlorobenzaldehyde oxime may be used in the preparation of: 2-chlorobenzaldehyde under different reaction conditionsmethyl 3-(2-chlorophenyl)-5-[1-(4-methoxybenzyloxy)-ethyl]isoxazole-4-carboxylatedimethyl 3-(2-chlorophenyl)isoxazole-4,5-dicarboxylate[3-(2-chlorophenyl)isoxazol-5-yl]methanol

Technology Process of o-Chlorobenzaldehyde oxime

There total 24 articles about o-Chlorobenzaldehyde 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%

2-chloro-benzaldehyde (89-98-5) → 2-chloro benzaldehyde oxime (3717-28-0)

Guidance literature:

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

DOI:10.1021/acs.orglett.5b03462

Reference yield: 98.0%

2-chloro-benzaldehyde (89-98-5) → 2-chlorobenzaldoxime (3717-26-8,3717-27-9,3717-28-0)

Guidance literature:

With hydroxylamine hydrochloride; zinc(II) oxide; at 80 ℃; for 0.0833333h;

DOI:10.1055/s-2002-31964

Reference yield: 95.0%

→ 2-chloro benzaldehyde oxime (3717-28-0)

Guidance literature:

upstream raw materials:

(E)-2-chlorobenzaldehyde oxime

benzene

hydrogenchloride

2-chloro-benzaldehyde

Downstream raw materials:

2-chloro-N-hydroxybenzimidoyl chloride

2-Chlorobenzonitrile

2-chlorobenzaldoxime

(Z)-2-chlorobenzaldehyde (α)-chloro-oxime

Refernces

• 1、 Pan, Hongmei,Lu, Tong,Wu, Xuedan,Gu, Chengwen,Tao, Naili,Zhang, Biao,Wang, Ao,Chen, Guangmei,Zhang, Kehua,Cheng, Jie,Jin, Jie. "Design and synthesis of sinomenine isoxazole derivatives via 1,3-dipolar cycloaddition reaction". supporting information. p. 2360 - 2364. Retrieved 2019/11/11.
• 2、 Chen, Qingqing,Han, Hongwei,Lin, Hongyan,Ma, Xiaopeng,Qi, Jinliang,Wang, Xiaoming,Yang, Yonghua,Zhou, Ziling. "One pot synthesis of aryl nitriles from aromatic aldehydes in a water environment". . p. 24232 - 24237. Retrieved 2021/07/29.