2-Methyl-1-(2-methylphenyl)propan-1-one

Base Information

• Chemical Name: 2-Methyl-1-(2-methylphenyl)propan-1-one
• CAS No.: 2040-21-3
• Molecular Formula: C11H14O
• Molecular Weight: 162.232
• DSSTox Substance ID: DTXSID40341909
• Nikkaji Number: J1.287.767F
• Wikidata: Q82112394

Synonyms:2-methyl-1-(2-methylphenyl)propan-1-one;2040-21-3;2-Methyl-1-(o-tolyl)propan-1-one;1-Propanone, 2-methyl-1-(2-methylphenyl)-;2,2'-dimethylpropiophenone;o-Methylisobutyrophenon;SCHEMBL585832;alpha,2'-Dimethylpropiophenone;Propiophenone, 2,2'-dimethyl-;DTXSID40341909;2-Methyl-1-o-tolyl-propan-1-one;CAA04021;AKOS010014475;BS-51236;2-Methyl-1-(2-methylphenyl)-1-propanone;CS-0435111;2-Methyl-1-(2-methylphenyl)-1-propanone #;EN300-74742;N12569;Z513734868

Chemical Property of 2-Methyl-1-(2-methylphenyl)propan-1-one

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(=O)C(C)C

Technology Process of 2-Methyl-1-(2-methylphenyl)propan-1-one

There total 27 articles about 2-Methyl-1-(2-methylphenyl)propan-1-one 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: 96.0%

methanol (67-56-1) + 2-Methylacetophenone (577-16-2,122382-54-1) → 2'-methylisobutyrophenone (2040-21-3)

Guidance literature:

With potassium hydroxide; at 120 ℃; for 20h;

DOI:10.1002/cctc.201700907

Reference yield: 90.0%

methanol (67-56-1) + 2-methylpropiophenone (2040-14-4) → 2'-methylisobutyrophenone (2040-21-3)

Guidance literature:

With C₃₄H₂₇IrN₂P⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-); caesium carbonate; at 65 ℃; for 24h; Inert atmosphere;

DOI:10.1002/chem.201405990

Reference yield: 89.0%

2,2-dimethyl-3-o-tolyl-oxirane (213206-68-9) → 2'-methylisobutyrophenone (2040-21-3) + 2-methyl-2-(2-methylphenyl)propionaldehyde (127106-02-9)

Guidance literature:

With tris(pentafluorophenyl)borate; In benzene; at 60 ℃;

DOI:10.1016/j.bmcl.2004.08.024

upstream raw materials:

isopropyl o-tolyl ketimine

ortho-methylbenzoic acid

isobutyric Acid

2-benzyloxy-3-methyl-butyronitrile

Downstream raw materials:

4-Ethyl-3-hydroxy-2,2-dimethyl-1-o-tolyl-hexan-1-one

tert-butyl 3-(2-methylphenyl)-4-methyl-2-pentenoate

3-Hydroxy-2,2-dimethyl-1-o-tolyl-butan-1-one

3-Hydroxy-2,2-dimethyl-1-o-tolyl-pentan-1-one

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