2-(4-Methoxyphenoxy)-2-methylpropanoyl chloride

Base Information

• Chemical Name: 2-(4-Methoxyphenoxy)-2-methylpropanoyl chloride
• CAS No.: 4878-04-0
• Molecular Formula: C₁₁H₁₃ClO₃
• Molecular Weight: 228.675
• DSSTox Substance ID: DTXSID901242826
• Mol file: 4878-04-0.mol

Synonyms:2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL CHLORIDE;4878-04-0;SCHEMBL9590123;DTXSID901242826;MFCD11940217;AKOS005173220;VS-04730

Chemical Property of 2-(4-Methoxyphenoxy)-2-methylpropanoyl chloride

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 228.0553220
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Methoxyphenoxy)-2-methylpropanoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C(=O)Cl)OC1=CC=C(C=C1)OC

Technology Process of 2-(4-Methoxyphenoxy)-2-methylpropanoyl chloride

There total 2 articles about 2-(4-Methoxyphenoxy)-2-methylpropanoyl chloride 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:

α-(4-methoxyphenoxy)-2-methylpropionic acid (17509-54-5) → 2-(4-Methoxy-phenoxy)-2-methyl-propionyl chloride (4878-04-0)

Guidance literature:

With thionyl chloride;

DOI:10.1016/S0040-4020(01)87711-5

Reference yield:

4-methoxy-phenol (150-76-5) → 2-(4-Methoxy-phenoxy)-2-methyl-propionyl chloride (4878-04-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide / butanone / 2 h / 50 °C

1.2: 12 h / 50 °C

2.1: oxalyl dichloride / dichloromethane / 0 °C

With oxalyl dichloride; sodium hydroxide; In dichloromethane; butanone;

DOI:10.1021/ja400659s

Reference yield: 89.0%

(cyanomethyl)triphenylphosphonium chloride (4336-70-3) + 2-(4-Methoxy-phenoxy)-2-methyl-propionyl chloride (4878-04-0) → 2-(4-methoxyphenoxy)-2-methyl-propionyl-cyanomethylenetriphenylphosphorane (116762-27-7)

Guidance literature:

In triethylamine; toluene; for 1h; Ambient temperature;

DOI:10.1016/S0040-4020(01)87711-5

upstream raw materials:

α-(4-methoxyphenoxy)-2-methylpropionic acid

4-methoxy-phenol

Downstream raw materials:

2-(4-methoxyphenoxy)-2-methyl-propionyl-cyanomethylenetriphenylphosphorane