1-(4-Chloro-2-methoxyphenyl)propan-1-one

Base Information

• Chemical Name: 1-(4-Chloro-2-methoxyphenyl)propan-1-one
• CAS No.: 36871-55-3
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.649
• DSSTox Substance ID: DTXSID801275551
• Mol file: 36871-55-3.mol

Synonyms:36871-55-3;1-(4-CHLORO-2-METHOXYPHENYL)PROPAN-1-ONE;4'-Chloro-2'-methoxypropiophenone;1-Propanone, 1-(4-chloro-2-methoxyphenyl)-;SCHEMBL4854078;PELVKTMDDXVZAT-UHFFFAOYSA-N;DTXSID801275551;MFCD11847466;AKOS027277700;AS-36875;1-(4-chloro-2-methoxyphenyl)-1-propanone;CS-0152663

Chemical Property of 1-(4-Chloro-2-methoxyphenyl)propan-1-one

Chemical Property:

• PSA: 26.30000
• LogP: 2.94130
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Chloro-2-methoxyphenyl)propan-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)C1=C(C=C(C=C1)Cl)OC

Technology Process of 1-(4-Chloro-2-methoxyphenyl)propan-1-one

There total 7 articles about 1-(4-Chloro-2-methoxyphenyl)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:

4-chloro-N,2-dimethoxy-N-methylbenzamide (205320-02-1) + ethylmagnesium bromide (925-90-6) → 4-chloro-2-methoxypropiophenone (36871-55-3)

Guidance literature:

In tetrahydrofuran; diethyl ether; at -78 - 20 ℃; for 16h;

DOI:10.1021/jm060683e

Reference yield:

4-chloro-2-methoxybenzaldehyde (53581-86-5) + ethylmagnesium bromide (925-90-6) → 4-chloro-2-methoxypropiophenone (36871-55-3)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield:

2-methoxy-4-chlorobenzoic acid (57479-70-6) → 4-chloro-2-methoxypropiophenone (36871-55-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: oxalyl chloride; DMF / CH₂Cl₂ / 1.5 h / 0 - 20 °C

1.2: diisopropylethylamine / CH₂Cl₂ / 15 h / 20 °C

2.1: tetrahydrofuran; diethyl ether / 16 h / -78 - 20 °C

With oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; diethyl ether; dichloromethane;

DOI:10.1021/jm060683e

upstream raw materials:

1-(4-chloro-2-hydroxy-phenyl)-propan-1-one

dimethyl sulfate

methyl iodide

4-chloro-N,2-dimethoxy-N-methylbenzamide

Downstream raw materials:

1-(4-chloro-2-hydroxy-phenyl)-propan-1-one

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