alpha,3-Dichlorobenzaldoxime

Base Information

• Chemical Name: alpha,3-Dichlorobenzaldoxime
• CAS No.: 29203-59-6
• Molecular Formula: C7H5Cl2NO
• Molecular Weight: 190.029
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID40449212
• Mol file: 29203-59-6.mol

Synonyms:29203-59-6;ALPHA,3-DICHLOROBENZALDOXIME;(1Z)-3-chloro-N-hydroxybenzenecarboximidoyl chloride;3-CHLORO-N-HYDROXYBENZIMIDOYL CHLORIDE;SCHEMBL1544382;DTXSID40449212;MFCD09832007;AKOS006327058;3-chloro-N-hydroxy-benzimidoyl chloride;3-CHLORO-N-HYDROXYBENZIMIDOYLCHLORIDE;3-Chloro-N-hydroxybenzene-1-carboximidoyl chloride

Chemical Property of alpha,3-Dichlorobenzaldoxime

Chemical Property:

• Melting Point: 64-67 °C
• Boiling Point: 319.3±44.0 °C(Predicted)
• PKA: 10.27±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: 161

Purity/Quality:

99% ^*data from raw suppliers

alpha,3-Dichlorobenzaldoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of alpha,3-Dichlorobenzaldoxime

There total 9 articles about alpha,3-Dichlorobenzaldoxime 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%

3-chlorobenzaldehyde oxime (34158-71-9) → 3-chloro-N-hydroxybenzimidoyl chloride (29203-59-6)

Guidance literature:

With hydrogenchloride; oxone; water; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

Reference yield: 100.0%

3-chlorobenzaldehyde oxime (34158-71-9) → (Z)-3-chloro-N-hydroxybenzene-1-carbonimidoyl chloride (29203-59-6)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 20 ℃; for 1.5h;

DOI:10.1021/jm3012239

Reference yield: 93.0%

(E)-3-chlorobenzaldehyde oxime (3717-33-7,34158-71-9,4006-79-5) → (Z)-3-chloro-N-hydroxybenzene-1-carbonimidoyl chloride (29203-59-6)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; at 40 ℃; for 1h;

upstream raw materials:

(E)-3-chlorobenzaldehyde oxime

m-Chlorobenzaldehyde

3-chlorobenzaldehyde oxime

3-chloro-N-hydroxy-benzamidine

Downstream raw materials:

3-(3-chloro-phenyl)-isoxazole-5-carboxylic acid methyl ester

3-(3-chlorophenyl)-isoxazole-4-carboxylic acid

[3-(3-chlorophenyl)-isoxazol-4-yl]-carbamic acid tert-butyl ester

3-(3-chlorophenyl)-isoxazol-4-ylamine hydrochloride

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、 Umm-E-Farwa,Ullah, Saeed,Khan, Maria Aqeel,Zafar, Humaira,Atia-tul-Wahab,Younus, Munisaa,Choudhary, M. Iqbal,Basha, Fatima Z.. "Dibenzazepine-linked isoxazoles: New and potent class of α-glucosidase inhibitors". supporting information. . Retrieved 2021/05/10.