N'-Hydroxy-3-methylbenzenecarboximidamide

Base Information

• Chemical Name: N'-Hydroxy-3-methylbenzenecarboximidamide
• CAS No.: 40067-82-1
• Molecular Formula: C8H10N2O
• Molecular Weight: 150.18
• Hs Code.: 2925290090
• European Community (EC) Number: 621-226-1
• ChEMBL ID: CHEMBL4746646
• Mol file: 40067-82-1.mol

Synonyms:40067-82-1;N'-Hydroxy-3-methylbenzenecarboximidamide;3-Methylbenzamide oxime;(Z)-N'-hydroxy-3-methylbenzene-1-carboximidamide;3-Methylbenzamidoxime;N'-hydroxy-3-methylbenzimidamide;N'-hydroxy-3-methylbenzene-1-carboximidamide;(Z)-N'-hydroxy-3-methylbenzimidamide;N'-hydroxy-3-methyl-benzamidine;N-Hydroxy-3-methylbenzenecarboximidamide;3-Methylbenzamidoxine;m-Methyl Benzamide Oxime;N-Hydroxy-3-methylbenzamidine;SCHEMBL103984;n-hydroxy-3-methylbenzimidamide;CHEMBL4746646;HMS1452E12;STR11188;BBL006558;STL137820;AKOS000132920;PS-3175;IDI1_018853;N'-Hydroxy-3-methylbenzenecarboximidamide #;CS-0206290;EN300-259913;A824883;F2158-1170;N'~1~-HYDROXY-3-METHYL-1-BENZENECARBOXIMIDAMIDE

Chemical Property of N'-Hydroxy-3-methylbenzenecarboximidamide

Chemical Property:

• Vapor Pressure: 7.13E-05mmHg at 25°C
• Melting Point: 82-87 °C(lit.)
• Refractive Index: 1.564
• Boiling Point: 329.5 °C at 760 mmHg
• PKA: 7.04±0.69(Predicted)
• Flash Point: 153.1 °C
• PSA: 58.61000
• Density: 1.14 g/cm³
• LogP: 1.78980
• XLogP3: 1.4
• 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

N''-Hydroxy-3-methylbenzenecarboximidamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=NO)N
• Isomeric SMILES: CC1=CC(=CC=C1)/C(=N/O)/N
• Uses: N''-Hydroxy-3-methylbenzenecarboximidamide

Technology Process of N'-Hydroxy-3-methylbenzenecarboximidamide

There total 8 articles about N'-Hydroxy-3-methylbenzenecarboximidamide 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-Methylbenzonitrile (620-22-4) → N-hydroxy-3-methylbenzimidamide (40067-82-1)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydrogencarbonate; In ethanol; water; at 80 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.bmc.2020.115731

Reference yield: 100.0%

3-Methylbenzonitrile (620-22-4) → N'-hydroxy-3-methylbenzimidamide (40067-82-1)

Guidance literature:

With hydroxylamine hydrochloride; water; sodium hydroxide; In ethanol; at 20 ℃; for 10h; Inert atmosphere; Reflux;

DOI:10.1002/cmdc.201900242

Reference yield: 98.0%

→ N'-hydroxy-3-methylbenzimidamide (40067-82-1)

Guidance literature:

upstream raw materials:

3-Methylbenzonitrile

3-methylthiobenzamide

m-tolyl aldehyde

3-methylbenzaldehyde oxime

Downstream raw materials:

[3-m-Tolyl-4H-[1,2,4]oxadiazin-(5Z)-ylidene]-acetic acid ethyl ester

[3-m-Tolyl-4H-[1,2,4]oxadiazin-(5E)-ylidene]-acetic acid ethyl ester

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

3-m-Tolyl-1-oxa-2,4-diaza-spiro[4.5]dec-2-ene