3-Methyl-4-methylbenzaldehyde oxime

Base Information

• Chemical Name: 3-Methyl-4-methylbenzaldehyde oxime
• CAS No.: 175277-35-7
• Molecular Formula: C₉H₁₁NO
• Molecular Weight: 149.192
• DSSTox Substance ID: DTXSID30694138
• Mol file: 175277-35-7.mol

Synonyms:DTXSID30694138;FMMYWZFQQDNXGQ-UHFFFAOYSA-N;3-methyl-4-methylbenzaldehyde oxime;FT-0694221

Chemical Property of 3-Methyl-4-methylbenzaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.0118mmHg at 25°C
• Boiling Point: 249.8°Cat760mmHg
• Flash Point: 141.8°C
• PSA: 32.59000
• Density: 1g/cm³
• LogP: 2.11150
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

99%min ^*data from raw suppliers

N-[(3,4-Dimethylphenyl)methylidene]hydroxylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C=NO)C

Technology Process of 3-Methyl-4-methylbenzaldehyde oxime

There total 5 articles about 3-Methyl-4-methylbenzaldehyde oxime 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: 90.0%

3,4-dimethylbenzaldehyde (5973-71-7) → 3,4‐dimethylbenzaldoxime (175277-35-7)

Guidance literature:

With oxone; ethylenediamine; In water; at 80 ℃; for 3h;

DOI:10.3390/12020231

Reference yield:

3,4-dimethylbenzaldehyde (5973-71-7) → C9H11NO (175277-35-7)

Guidance literature:

With lithium hydroxide monohydrate; hydroxylamine hydrochloride; In water; at 70 ℃; for 8h; Schlenk technique; Sealed tube; Green chemistry;

DOI:10.1016/j.jfluchem.2014.06.011

Reference yield:

4-bromo-o-xylene (583-71-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3,4‐dimethylbenzaldoxime (175277-35-7)

Guidance literature:

4-bromo-o-xylene; With n-butyllithium; In tetrahydrofuran; hexane; at -50 ℃; for 0.5h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -50 - 20 ℃; for 1h; Inert atmosphere;

With hydroxylamine hydrochloride; potassium carbonate; In tetrahydrofuran; hexane; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.tet.2018.06.044

upstream raw materials:

3,4-dimethylbenzaldehyde

o-xylene

mercury fulminate

4-bromo-o-xylene

Downstream raw materials:

3,4-dimethylacetophenone

Refernces

• 1、 Kumar, Pravin,Kapur, Manmohan. "Unusual Reactivity of 4-Vinyl Isoxazoles in the Copper-Mediated Synthesis of Pyridines, Employing DMSO as a One-Carbon Surrogate". supporting information. p. 5855 - 5860. Retrieved 2020/07/30.
• 2、 Lucescu, Liliana,Ghinet, Alina,Shova, Sergiu,Magnez, Romain,Thuru, Xavier,Farce, Amaury,Rigo, Beno?t,Belei, Dalila,Dubois, Jo?lle,B?cu, Elena. "Exploring isoxazoles and pyrrolidinones decorated with the 4,6-dimethoxy-1,3,5-triazine unit as human farnesyltransferase inhibitors". . . Retrieved 2019/04/13.