N-Hydroxy-2-methyl-benzamidine

Base Information

• Chemical Name: N-Hydroxy-2-methyl-benzamidine
• CAS No.: 40312-14-9
• Molecular Formula: C8H10 N2 O
• Molecular Weight: 150.18
• Hs Code.: 29252900
• European Community (EC) Number: 670-308-3
• Mol file: 40312-14-9.mol

Synonyms:N-Hydroxy-2-methyl-benzamidine;40312-14-9;2-methyl Benzamideoxime;2-Methylbenzamide oxime, 97%;SCHEMBL12997622;HMS1408G09;AKOS000116638;IDI1_007656;PD021328

Chemical Property of N-Hydroxy-2-methyl-benzamidine

Chemical Property:

• Vapor Pressure: 0.000114mmHg at 25°C
• Melting Point: 125-130℃
• Boiling Point: 322.6°Cat760mmHg
• Flash Point: 148.9°C
• PSA: 58.61000
• Density: 1.14g/cm³
• LogP: 1.78980
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

97% ^*data from raw suppliers

(E)-N''-Hydroxy-2-methylbenzimidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-37/38-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(=NO)N
• Isomeric SMILES: CC1=CC=CC=C1/C(=N\O)/N

Technology Process of N-Hydroxy-2-methyl-benzamidine

There total 9 articles about N-Hydroxy-2-methyl-benzamidine 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%

2-Methylbenzonitrile (529-19-1) → N'-hydroxy-2-methylbenzamidine (40312-14-9)

Guidance literature:

With hydroxylamine; In ethanol; water; at 70 ℃; for 48h;

Reference yield: 90.0%

2-Methylbenzonitrile (529-19-1) → N-hydroxy-2-methylbenzimidamide (40312-14-9)

Guidance literature:

With hydroxylamine; In ethanol; water; at 20 ℃; Reflux;

DOI:10.1002/adsc.201600913

Reference yield: 77.0%

2-Methylbenzonitrile (529-19-1) → (Z)-N'-hydroxy-2-methylbenzamidine (40312-14-9)

Guidance literature:

With hydroxylamine hydrochloride; potassium tert-butylate; In methanol; toluene; at 70 - 80 ℃; for 17h;

DOI:10.1080/00397919608003838

upstream raw materials:

2-Methylbenzonitrile

hydrogenchloride

2-methylphenyl aldehyde

salicylaldoxime

Downstream raw materials:

O-(4,4-Dinitropentanoyl)-2-methylbenzamidoxime

5-Phenyl-3-(o-tolyl)-4,5-dihydro-1,2,4-oxadiazole

3-<(3-o-Tolyl)-1,2,4-oxadiazol-5-yl>propionic acid

4-(3-o-tolyl-1,2,4-oxadiazol-5-yl)-butan-2-one

Refernces

• 1、 Xiao, Zhihong,Peng, Yajun,Zheng, Bifeng,Chang, Qi,Guo, Yating,Chen, Zhuo,Li, Qianbin,Hu, Gaoyun. "Design, synthesis, and biological evaluation of 1,2,4-oxadiazole-containing pyrazolo[3,4-b]pyridinones as a new series of AMPKɑ1β1γ1 activators". . . Retrieved 2021/03/16.
• 2、 Presnukhina, Sofia,Tarasenko, Marina,Baykov, Sergey,Smirnov, Sergey N.,Boyarskiy, Vadim P.,Shetnev, Anton,Korsakov, Mikhail K.. "Entry into (E)-3-(1,2,4-oxadiazol-5-yl)acrylic acids via a one-pot ring-opening/ring-closing/retro-Diels-Alder reaction sequence". supporting information. . Retrieved 2019/12/27.