2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester

Base Information

• Chemical Name: 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester
• CAS No.: 61019-06-5
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• DSSTox Substance ID: DTXSID30336369
• Nikkaji Number: J1.697.922H
• Wikidata: Q82103415

Synonyms:61019-06-5;2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester;3,5-DIMETHYLPHENYL 2,2-DIMETHYLPROPANOATE;Propanoic acid, 2,2-dimethyl-, 3,5-dimethylphenyl ester;(3,5-dimethylphenyl) 2,2-dimethylpropanoate;SCHEMBL17585017;DTXSID30336369;1-(Pivaloyloxy)-3,5-dimethylbenzene

Chemical Property of 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester

There total 3 articles about 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester 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: 98.0%

pivaloyl chloride (3282-30-2) + 3,5-Dimethylphenol (108-68-9,50356-23-5) → 3,5-dimethylphenyl pivaloate (61019-06-5)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/S0040-4020(02)00203-X

Reference yield:

2,2-dimethylpropanoic anhydride (1538-75-6) + 3,5-Dimethylphenol (108-68-9,50356-23-5) → 3,5-dimethylphenyl pivaloate (61019-06-5)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 20 ℃; for 2h;

DOI:10.1016/j.mcat.2020.110772

Reference yield:

→ 3,5-dimethylphenyl pivaloate (61019-06-5)

Guidance literature:

aus Pivaloylchlorid und 3,5-Dimethylphenol;

upstream raw materials:

pivaloyl chloride

3,5-Dimethylphenol

2,2-dimethylpropanoic anhydride

Downstream raw materials:

3,5-bis(bromomethyl)phenyl pivaloate

{2-[(3-[3-(2-amino-6-oxo-1,6-dihydro-purin-9-yl)-propoxy]-5-{[tert-butoxycarbonyl-(2-tert-butoxycarbonylamino-ethyl)-amino]-methyl}-benzyl)-tert-butoxycarbonyl-amino]-ethyl}-carbamic acid tert-butyl ester

{2-[(3-[3-(2-amino-6-methoxy-purin-9-yl)-propoxy]-5-{[tert-butoxycarbonyl-(2-tert-butoxycarbonylamino-ethyl)-amino]-methyl}-benzyl)-tert-butoxycarbonyl-amino]-ethyl}-carbamic acid tert-butyl ester

{2-[(3-[3-(2-amino-6-chloro-purin-9-yl)-propoxy]-5-{[tert-butoxycarbonyl-(2-tert-butoxycarbonylamino-ethyl)-amino]-methyl}-benzyl)-tert-butoxycarbonyl-amino]-ethyl}-carbamic acid tert-butyl ester

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