2-(2,3-Dimethylphenoxy)-2-methylpropanoic acid

Base Information

• Chemical Name: 2-(2,3-Dimethylphenoxy)-2-methylpropanoic acid
• CAS No.: 667440-80-4
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID20364171
• Wikidata: Q82147972
• Mol file: 667440-80-4.mol

Synonyms:2-(2,3-dimethylphenoxy)-2-methylpropanoic acid;667440-80-4;2-(2,3-Dimethyl-phenoxy)-2-methyl-propionic acid;SCHEMBL659739;DTXSID20364171;BBL013394;MFCD03422275;STK317930;AKOS000103359;VS-03810;CS-0315692;FT-0734190;2-(2,3-dimethylphenoxy)-2-methylpropanoicacid;2-(2,3-dimethylphenoxy)-2-methylpropionic acid

Chemical Property of 2-(2,3-Dimethylphenoxy)-2-methylpropanoic acid

Chemical Property:

• Vapor Pressure: 7.37E-05mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 329°C at 760 mmHg
• Flash Point: 122.5°C
• PSA: 46.53000
• Density: 1.095g/cm³
• LogP: 2.54540
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

98%Min ^*data from raw suppliers

2-(2,3-Dimethylphenoxy)-2-methylpropanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2,3-Dimethylphenoxy)-2-methylpropanoic acid

There total 3 articles about 2-(2,3-Dimethylphenoxy)-2-methylpropanoic acid 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: 76.0%

2,3-Dimethylphenol (526-75-0) + 1,1,1-trichloro-2-methyl-2-propanol (57-15-8) → 2-(2,3-dimethylphenoxy)-2-methyl-propionic acid (667440-80-4)

Guidance literature:

2,3-Dimethylphenol; 1,1,1-trichloro-2-methyl-2-propanol; With sodium hydroxide; In acetone; at 0 - 20 ℃; for 49h;

With hydrogenchloride; water; In acetone; pH=1;

Reference yield: 45.0%

2-bromo-2-methylpropionic acid (2052-01-9) + 2,3-Dimethylphenol (526-75-0) → 2-(2,3-dimethylphenoxy)-2-methyl-propionic acid (667440-80-4)

Guidance literature:

2,3-Dimethylphenol; With sodium hydroxide; In butanone; at 50 ℃; for 1h;

2-bromo-2-methylpropionic acid; In butanone; at 50 ℃; for 4h;

With hydrogenchloride; In diethyl ether; water; butanone;

Reference yield:

ethyl 2-(2,3-dimethylphenoxy)-2-methylpropionate (669738-96-9) → 2-(2,3-dimethylphenoxy)-2-methyl-propionic acid (667440-80-4)

Guidance literature:

ethyl 2-(2,3-dimethylphenoxy)-2-methylpropionate; With sodium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 12h;

With hydrogenchloride; In tetrahydrofuran; methanol; water;

upstream raw materials:

2,3-Dimethylphenol

1,1,1-trichloro-2-methyl-2-propanol

ethyl 2-(2,3-dimethylphenoxy)-2-methylpropionate

2-bromo-2-methylpropionic acid

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