1-(3-Methoxy-5-methylphenyl)ethanone

Base Information

• Chemical Name: 1-(3-Methoxy-5-methylphenyl)ethanone
• CAS No.: 43113-94-6
• Molecular Formula: C10H12O2
• Molecular Weight: 164.20
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID00581288
• Nikkaji Number: J2.424.321D
• Wikidata: Q72490601
• Mol file: 43113-94-6.mol

Synonyms:1-(3-METHOXY-5-METHYLPHENYL)ETHANONE;43113-94-6;1-(3-METHOXY-5-METHYLPHENYL)ETHAN-1-ONE;3'-Methoxy-5'-methylacetophenone;SCHEMBL12020820;DTXSID00581288;MFCD17011766;AKOS015851945;AB71648;DS-16559;A6976;CS-0153251;F20088

Chemical Property of 1-(3-Methoxy-5-methylphenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.015mmHg at 25°C
• Refractive Index: 1.504
• Boiling Point: 256.9°C at 760 mmHg
• Flash Point: 107.6°C
• PSA: 26.30000
• Density: 1.018g/cm³
• LogP: 2.20620
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

97% ^*data from raw suppliers

1-(3-Methoxy-5-methylphenyl)ethanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)OC)C(=O)C

Technology Process of 1-(3-Methoxy-5-methylphenyl)ethanone

There total 6 articles about 1-(3-Methoxy-5-methylphenyl)ethanone 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: 93.0%

1-(3-methoxy-5-methylphenyl)ethanol (929567-61-3) → 3-methoxy-5-methylacetophenone (43113-94-6)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1055/s-2006-950355

Reference yield:

3,5-dimethylmethoxybenzene (874-63-5) → 3-methoxy-5-methylacetophenone (43113-94-6)

Guidance literature:

Multi-step reaction with 5 steps

1: 83 percent / N-bromosuccinimide; benzoyl peroxide / CCl₄ / 1 h / Heating

2: 80 percent / NaHCO₃; water / acetone / 5 h / Heating

3: 94 percent / pyridinium chlorochromate; silica gel / CH₂Cl₂ / 0.25 h / 20 °C

4: 91 percent / diethyl ether / 0 - 20 °C

5: 93 percent / pyridinium chlorochromate / CH₂Cl₂ / 1 h / 20 °C

With N-Bromosuccinimide; water; silica gel; sodium hydrogencarbonate; pyridinium chlorochromate; dibenzoyl peroxide; In tetrachloromethane; diethyl ether; dichloromethane; acetone; 4: Grignard reaction;

DOI:10.1055/s-2006-950355

Reference yield:

3-methoxy-5-methyl-benzaldehyde (90674-26-3) → 3-methoxy-5-methylacetophenone (43113-94-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / diethyl ether / 0 - 20 °C

2: 93 percent / pyridinium chlorochromate / CH₂Cl₂ / 1 h / 20 °C

With pyridinium chlorochromate; In diethyl ether; dichloromethane; 1: Grignard reaction;

DOI:10.1055/s-2006-950355

upstream raw materials:

1-(3-methoxy-5-methylphenyl)ethanol

3,5-dimethylmethoxybenzene

3-methoxy-5-methyl-benzaldehyde

(3-methoxy-5-methylphenyl)methanol