N-Hydroxy-2-methoxybenzimidoyl chloride

Base Information

• Chemical Name: N-Hydroxy-2-methoxybenzimidoyl chloride
• CAS No.: 74467-01-9
• Molecular Formula: C8H8 Cl N O2
• Molecular Weight: 185.61
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID90458677
• Mol file: 74467-01-9.mol

Synonyms:74467-01-9;N-Hydroxy-2-methoxybenzimidoyl chloride;(Z)-2-METHOXYBENZOYL CHLORIDE OXIME;(1Z)-N-hydroxy-2-methoxybenzenecarboximidoyl chloride;SCHEMBL470307;DTXSID90458677;N-Hydroxy-2-methoxybenzimidoylchloride;A838142;(1Z)-N-hydroxy-2-methoxy-benzimidoyl chloride

Chemical Property of N-Hydroxy-2-methoxybenzimidoyl chloride

Chemical Property:

• PSA: 41.82000
• LogP: 2.06980
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 185.0243562
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99.3% ^*data from raw suppliers

2-METHTOXY-ALPHA-CHLOROBENZALDOXIME 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C(=NO)Cl
• Isomeric SMILES: COC1=CC=CC=C1/C(=N/O)/Cl

Technology Process of N-Hydroxy-2-methoxybenzimidoyl chloride

There total 6 articles about N-Hydroxy-2-methoxybenzimidoyl 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: 99.0%

→ 2-methoxybenzohydroximoyl chloride (74467-01-9)

Guidance literature:

Reference yield: 95.0%

2-Methoxy-benzaldehyde oxime (29577-53-5) → 2-methoxybenzohydroximoyl chloride (74467-01-9)

Guidance literature:

With hydrogenchloride; Oxone; silica gel; at 20 ℃; for 0.15h;

Reference yield: 81.0%

N-chloro-succinimide (128-09-6) + 2-Methoxy-benzaldehyde oxime (29577-53-5) → 2-methoxybenzohydroximoyl chloride (74467-01-9)

Guidance literature:

In DMF (N,N-dimethyl-formamide); at 20 - 50 ℃; for 5h;

upstream raw materials:

2-Methoxy-benzaldehyde oxime

ortho-anisaldehyde

N-chloro-succinimide

Downstream raw materials:

3-(2-methoxyphenyl)-5-methylisoxazole-4-carboxylic acid

Acetic acid (2S,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-(N-hydroxy-2-methoxy-benzimidoylsulfanyl)-tetrahydro-pyran-3-yl ester

1-isothiocyanato-2-methoxybenzene

O-benzoyl-2-methoxybenzohydroximoyl chloride

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、 D'Ascenzio, Melissa,Secci, Daniela,Carradori, Simone,Zara, Susi,Guglielmi, Paolo,Cirilli, Roberto,Pierini, Marco,Poli, Giulio,Tuccinardi, Tiziano,Angeli, Andrea,Supuran, Claudiu T.. "1,3-Dipolar Cycloaddition, HPLC Enantioseparation, and Docking Studies of Saccharin/Isoxazole and Saccharin/Isoxazoline Derivatives as Selective Carbonic Anhydrase IX and XII Inhibitors". . p. 2470 - 2488. Retrieved 2020/03/31.