Methyl 2-(4-ethylphenyl)-2-methylpropanoate

Base Information

• Chemical Name: Methyl 2-(4-ethylphenyl)-2-methylpropanoate
• CAS No.: 698394-59-1
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID10440357
• Nikkaji Number: J3.596.406A
• Mol file: 698394-59-1.mol

Synonyms:Methyl 2-(4-ethylphenyl)-2-methylpropanoate;698394-59-1;SCHEMBL2601862;DTXSID10440357;Methyl2-(4-ethylphenyl)-2-methylpropanoate;Methyl=2-(4-ethylphenyl)-2-methylpropanoate;J3.596.406A

Chemical Property of Methyl 2-(4-ethylphenyl)-2-methylpropanoate

Chemical Property:

• PSA: 26.30000
• LogP: 2.69960
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

99.0% ^*data from raw suppliers

Methyl2-(4-ethylphenyl)-2-methylpropanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C(C)(C)C(=O)OC

Technology Process of Methyl 2-(4-ethylphenyl)-2-methylpropanoate

There total 1 articles about Methyl 2-(4-ethylphenyl)-2-methylpropanoate 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: 99.0%

1-(4-ethylphenyl)-2-hydroxy-2-methylpropan-1-one (68400-51-1) + trimethyl orthoformate (149-73-5) → methyl 2-(4-ethylphenyl)-2-methyl-propanoate (698394-59-1)

Guidance literature:

With perchloric acid; for 48h; Heating / reflux;

Reference yield: 96.3%

methyl 2-(4-ethylphenyl)-2-methyl-propanoate (698394-59-1) → methyl 2-(4-ethyl-3-iodophenyl)-2-methyl-propionate

Guidance literature:

With N-iodo-succinimide; sulfuric acid; acetic acid; at 20 ℃; Cooling with ice;

DOI:10.1021/acs.jmedchem.1c00270

Reference yield:

methyl 2-(4-ethylphenyl)-2-methyl-propanoate (698394-59-1) → 2-(4-ethylphenyl)-2-methyl-propanoic acid (1247119-83-0)

Guidance literature:

With water; sodium hydroxide; In methanol; Reagent/catalyst; Solvent; Reflux;

upstream raw materials:

1-(4-ethylphenyl)-2-hydroxy-2-methylpropan-1-one

trimethyl orthoformate

Downstream raw materials:

tert-butyl 4-(4-ethyl-3-iodo-phenyl)-4-methyl-3-oxo-pentanoate

tert-butyl 6-cyano-2-[1-(4-ethyl-3-iodo-phenyl)-1-methyl-ethyl]-1H-indole-3-carboxylate

C⁽²⁴⁸⁾H₅₄₀₂

2-(4-ethylphenyl)-2-methyl-propanoic acid

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