Methyl 2-phenoxyisobutyrate

Base Information

• Chemical Name: Methyl 2-phenoxyisobutyrate
• CAS No.: 72278-52-5
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• European Community (EC) Number: 276-570-1
• DSSTox Substance ID: DTXSID60993040
• Nikkaji Number: J299.086E
• Wikidata: Q82983574
• Mol file: 72278-52-5.mol

Synonyms:72278-52-5;Methyl 2-phenoxyisobutyrate;methyl 2-methyl-2-phenoxypropanoate;Propanoic acid,2-methyl-2-phenoxy-, methyl ester;EINECS 276-570-1;methyl 2-methyl-2-phenoxypropionate;starbld0047794;SCHEMBL7288524;DTXSID60993040;UAQIYYDCUSJYRL-UHFFFAOYSA-N;methyl 2-methyl-2-phenoxy-propanoate;AS-77729;2-Methyl-2-phenoxypropanoic acid methyl ester;D93254

Chemical Property of Methyl 2-phenoxyisobutyrate

Chemical Property:

• Vapor Pressure: 0.0179mmHg at 25°C
• Boiling Point: 253.8°C at 760 mmHg
• Flash Point: 100.1°C
• PSA: 35.53000
• Density: 1.061g/cm³
• LogP: 2.01700
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-phenoxyisobutyrate

There total 3 articles about Methyl 2-phenoxyisobutyrate 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:

methyl 2-chloroisobutyrate (22421-97-2) + phenol (108-95-2,27073-41-2) → methyl 2-methyl-2-phenoxypropionate (72278-52-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

DOI:10.1016/j.bmc.2014.11.016

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2-phenoxypropionic acid (940-31-8) + methyl iodide (74-88-4) → methyl 2-methyl-2-phenoxypropionate (72278-52-5)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane; water;

Reference yield:

→ methyl 2-methyl-2-phenoxypropionate (72278-52-5)

Guidance literature:

upstream raw materials:

diazomethane

2-phenoxypropionic acid

methyl iodide

methyl 2-chloroisobutyrate

Downstream raw materials:

2-(4-hydroxyphenoxy)-2-methylpropionic acid methyl ester

methyl 2-(p-acetylphenoxy)-2-methylpropionate

dimethyl 3-methyl-3-phenoxy-2-oxo-butylphosphonate

2-Methyl-2-phenoxy-thiopropionamide

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