3-Methoxybenzamidoxime

Base Information

• Chemical Name: 3-Methoxybenzamidoxime
• CAS No.: 73647-50-4
• Molecular Formula: C8H10N2O2
• Molecular Weight: 166.18
• Hs Code.: 2925290090
• European Community (EC) Number: 676-922-8
• ChEMBL ID: CHEMBL1860339
• Mol file: 73647-50-4.mol

Synonyms:3-METHOXYBENZAMIDOXIME;73647-50-4;(Z)-N'-Hydroxy-3-methoxybenzimidamide;934367-07-4;N'-hydroxy-3-methoxybenzenecarboximidamide;N-Hydroxy-3-methoxy-benzamidine;N'-hydroxy-3-methoxybenzene-1-carboximidamide;SCHEMBL101833;CHEMBL1860339;DNDI985019;BBL005583;STL140598;AKOS000185881;EN300-93106;J-502651

Chemical Property of 3-Methoxybenzamidoxime

Chemical Property:

• Melting Point: 104-108°C
• Boiling Point: 356.5 °C at 760 mmHg
• Flash Point: 169.4 °C
• PSA: 67.84000
• Density: 1.21 g/cm³
• LogP: 1.49000
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

98%min ^*data from raw suppliers

N''-hydroxy-3-methoxy-benzamidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Methoxybenzamidoxime

There total 4 articles about 3-Methoxybenzamidoxime 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: 98.0%

3-methoxybenzonitrile (1527-89-5) → N'-hydroxy-3-methoxybenzenecarboximidamide (73647-50-4)

Guidance literature:

With hydroxylamine monohydrate; In ethanol; at 90 ℃; for 1.5h; Sealed tube;

DOI:10.1016/j.ejmech.2018.10.015

Reference yield: 95.0%

→ N'-hydroxy-3-methoxybenzenecarboximidamide (73647-50-4)

Guidance literature:

Reference yield: 51.0%

3-methoxybenzonitrile (1527-89-5) → (Z)-N′-hydroxy-3-methoxybenzimidamide (934367-07-4,73647-50-4)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; In ethanol; for 12h; Reflux;

DOI:10.1016/j.ejmech.2018.08.071

upstream raw materials:

3-methoxybenzonitrile

Downstream raw materials:

O-(4,4-Dinitropentanoyl)-3-methoxybenzamidoxime

5-(3,3-Dinitrobutyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole

C₁₉H₂₅N₃O₄

Refernces

• 1、 Wu, Weiping,Fan, Shuaixin,Li, Tielei,Fang, Lili,Chu, Benfa,Zhu, Jin. "Cobalt-Catalyzed, Directed Intermolecular C-H Bond Functionalization for Multiheteroatom Heterocycle Synthesis: The Case of Benzotriazine". supporting information. p. 5652 - 5657. Retrieved 2021/08/01.
• 2、 Bhat, Sana,Bhat, Zahid Rafiq,Gupta, Jeena,Kaur, Jaskiran,Kaur, Paranjeet,Khatik, Gopal L.,Khurana, Navneet,Kumar, Rajan,Kumar, Rakesh,Tikoo, Kulbhushan. "Synthesis and evaluation of new 1,2,4-oxadiazole based trans- acrylic acid derivatives as potential PPAR-alpha/gamma dual agonist". . . Retrieved 2020/04/29.