2-Chloro-N-hydroxybenzimidoyl chloride

Base Information

• Chemical Name: 2-Chloro-N-hydroxybenzimidoyl chloride
• CAS No.: 29568-74-9
• Molecular Formula: C7H5Cl2NO
• Molecular Weight: 190.029
• Hs Code.: 2925290090
• European Community (EC) Number: 676-090-6
• Mol file: 29568-74-9.mol

Synonyms:2-CHLORO-N-HYDROXYBENZIMIDOYL CHLORIDE;29568-74-9;(1Z)-2-chloro-N-hydroxybenzenecarboximidoyl chloride;ALPHA,2-DICHLOROBENZALDOXIME;(Z)-2-chloro-N-hydroxybenzimidoyl chloride;2-chloro-N-hydroxybenzene-1-carbonimidoyl chloride;909132-95-2;SCHEMBL1314837;MFCD01924506;AKOS006278249;(Z)-2-chloro-N-hydroxybenzimidoylchloride;CS-0237345;CS-0370598;EN300-182609

Chemical Property of 2-Chloro-N-hydroxybenzimidoyl chloride

Chemical Property:

• Melting Point: 57-58 °C
• Boiling Point: 345.4oC at 760 mmHg
• PKA: 10.14±0.70(Predicted)
• Flash Point: 162.7oC
• PSA: 58.61000
• Density: 1.36g/cm3
• LogP: 2.13480
• 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:

98%min ^*data from raw suppliers

2-chloro-N''-hydroxybenzenecarboximidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-N-hydroxybenzimidoyl chloride

There total 12 articles about 2-Chloro-N-hydroxybenzimidoyl chloride 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: 96.0%

(E)-2-chlorobenzaldehyde oxime (3717-26-8,3717-27-9,3717-28-0) → (Z)-2-chlorobenzaldehyde (α)-chloro-oxime (29568-74-9)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; for 1.75h;

Reference yield: 95.0%

2-chloro benzaldehyde oxime (3717-28-0) → 2-chloro-N-hydroxybenzimidoyl chloride (29568-74-9)

Guidance literature:

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

DOI:10.1021/jo00050a054

Reference yield: 82.0%

→ 2-chloro-N-hydroxybenzimidoyl chloride (29568-74-9)

Guidance literature:

upstream raw materials:

2-chlorobenzaldoxime

2-chloro benzaldehyde oxime

(E)-2-chlorobenzaldehyde oxime

2-chloro-benzaldehyde

Downstream raw materials:

3-(2-chloro-phenyl)-5-pyridin-4-yl-isoxazole-4-carboxylic acid ethyl ester

(2-Chloromethyl-4-methyl-benzoimidazol-1-yl)-(2-chloro-phenyl)-methanone oxime

3-(2-chlorophenyl)-5-(3-(2-chlorophenyl)isoxazol-4-yl)-5-(trifluoromethyl)-[1,4,2]dioxazole

ethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate

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、 Schierle, Simone,Neumann, Sebastian,Heitel, Pascal,Willems, Sabine,Kaiser, Astrid,Pollinger, Julius,Merk, Daniel. "Design and Structural Optimization of Dual FXR/PPARδActivators". supporting information. p. 8369 - 8379. Retrieved 2020/08/12.