Alpha-Chloro-4-Chloro-Benzaldoxime

Base Information

• Chemical Name: Alpha-Chloro-4-Chloro-Benzaldoxime
• CAS No.: 28123-63-9
• Molecular Formula: C7H5 Cl2 N O
• Molecular Weight: 190.029
• Hs Code.: 2925290090
• European Community (EC) Number: 870-951-1,688-636-0
• Mol file: 28123-63-9.mol

Synonyms:Benzohydroximoylchloride, p-chloro- (8CI); Benzoyl chloride, p-chloro-, oxime (6CI,7CI);4-Chloro-N-hydroxybenzenecarboximidoyl chloride;4-Chloro-N-hydroxybenzenecarboxymidoyl chloride; 4-Chloro-N-hydroxybenzimidoylchloride; 4-Chlorobenzenehydroximic acid chloride; 4-Chlorobenzhydroxamic acidchloride; 4-Chlorobenzhydroxamoyl chloride; 4-Chlorobenzhydroximoyl chloride;4-Chlorobenzohydroxamoyl chloride; 4-Chlorobenzohydroximoyl chloride;4-Chlorobenzoyl chloride oxime; p-Chlorobenzhydroxamoyl chloride;p-Chlorobenzhydroximoyl chloride; p-Chlorobenzohydroxamoyl chloride;p-Chlorobenzohydroximoyl chloride

Chemical Property of Alpha-Chloro-4-Chloro-Benzaldoxime

Chemical Property:

• Melting Point: 87-88°
• Boiling Point: 304.8±44.0 °C(Predicted)
• PKA: 10.22±0.70(Predicted)
• PSA: 32.59000
• Density: 1.38±0.1 g/cm3(Predicted)
• LogP: 2.71460
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 188.9748192
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

4-CHLORO-N-HYDROXYBENZENECARBOXIMIDOYL CHLORIDE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Alpha-Chloro-4-Chloro-Benzaldoxime

There total 9 articles about Alpha-Chloro-4-Chloro-Benzaldoxime 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-chlorobenzohydroximoyl chloride (28123-63-9)

Guidance literature:

Reference yield: 96.0%

4-chlorobenzaldoxime (3848-36-0) → 4-chlorobenzohydroximoyl chloride (28123-63-9)

Guidance literature:

With hydrogenchloride; potassium peroxomonosulfate; In N,N-dimethyl-formamide; for 8h; Ambient temperature;

DOI:10.1021/jo00050a054

Reference yield: 87.0%

4-chlorobenzaldehyde oxime (3717-24-6) → 4-chlorobenzohydroximoyl chloride (28123-63-9)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; at 60 ℃;

DOI:10.1039/d0nj03474f

upstream raw materials:

4-chlorobenzaldoxime

4-chlorobenzaldehyde

4-fluorobenzaldoxime

4-chlorobenzaldehyde oxime

Downstream raw materials:

3,5-di(p-chlorophenyl)isoxazole

3-(4-chloro-phenyl)-6a-morpholin-4-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole

(3-(4-chlorophenyl)-5-methyl)isoxazole-4-carboxylic acid ethyl ester

4,5-diphenyl-3-(4-chlorophenyl)-4,5-dihydro-1,2,4-oxadiazole

Refernces

• 1、 Kumar, Raju Suresh,Ramar, Alagar,Perumal, Subbu,Almansour, Abdulrahman I.,Arumugam, Natarajan,Ali, Mohamed Ashraf. "Three-component synthesis and 1,3-dipolar cycloaddition of highly functionalized pyrans with nitrile oxides: Easy access to 1,2,4-oxadiazoles". . p. 2763 - 2772. Retrieved 2013.
• 2、 Feng, Qiang,Huang, Hai,Sun, Jianwei. "Ru-Catalyzed [3 + 2] Cycloaddition of Nitrile Oxides and Electron-Rich Alkynes with Reversed Regioselectivity". supporting information. p. 2431 - 2436. Retrieved 2021/05/05.
• 3、 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.