65101-72-6

Basic information

• Product Name: Acetic acid, [5-methyl-2-(1-methylethyl)phenoxy]-, ethyl ester
• Synonyms: Acetic acid, [5-methyl-2-(1-methylethyl)phenoxy]-, ethyl ester;ethyl (2-isopropyl-5-methylphenoxy)acetate;Ethyl 2-(2-isopropyl-5-methylphenoxy)acetate
• CAS NO: 65101-72-6
• Molecular Formula: C₁₄H₂₀O₃
• Molecular Weight: 236.3068
• Mol File: 65101-72-6.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Acetic acid, [5-methyl-2-(1-methylethyl)phenoxy]-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Acetic acid, [5-methyl-2-(1-methylethyl)phenoxy]-, ethyl ester(65101-72-6)
• EPA Substance Registry System: Acetic acid, [5-methyl-2-(1-methylethyl)phenoxy]-, ethyl ester(65101-72-6)

Safety Data

• Hazardous Substances Data: 65101-72-6(Hazardous Substances Data)

Upstream product

• 64-17-5 ethanol 
• 5333-40-4 2-isopropyl-5-methylphenoxyacetic acid 
• 37693-11-1 sodium 5-methyl-2-(1-methylethyl)phenolate 
• 105-39-5 chloroacetic acid ethyl ester 
• 89-83-8 thymol 
• 105-36-2 ethyl bromoacetate 

Downstream Products

• 1032106-21-0 ethyl (4-chloro-2-isopropyl-5-methylphenoxy)acetate 
• 75843-51-5 2-(2-isopropyl-5-methylphenoxy)acetohydrazide 
• 22670-72-0 2-amino-5-(2'-isopropyl-5'-methylphenoxymethyl)-1,3,4-oxadiazole 
• 13370-23-5 4-Chlor-5-methyl-2-isopropyl-phenoxyacethydroxamsaeure 

Relevant articles and documents

Design, synthesis, biological screenings and docking simulations of novel carvacrol and thymol derivatives containing acetohydrazone linkage

Abstract: Carvacrol and thymol are well-known phenolic monoterpenoids present as functional ingredients in numerous products. Keeping the diverse therapeutic activities of phenolic monoterpenes in mind, we attempted to synthesize a new series of acetohydrazone linkage containing carvacrol and thymol derivatives. All synthesized derivatives were characterized by spectroscopic techniques. Finally, all the derivatives were screened for their anti-oxidant activities by using DPPH assay, and anticancer activities by using SRB assay against pancreatic cancer with the MIAPaCa-2 cell line and colon cancer with the HCT-15 cell line. Themolecular docking studies of all the synthesized derivatives were carried out on the cyclooxygenase-2 (COX-2) protein enzyme. In the anti-oxidant test, EC50 values of all the compounds showed excellent anti-oxidant potency, and similarly the values of GI50 in the anticancer test displayed that most of the compounds possess good anticancer potency. Total docking results suggested that all the synthesized compounds exhibit good binding affinity towards receptors.

Synthesis, α-glucosidase inhibition, and molecular docking studies of novel N-substituted hydrazide derivatives of atranorin as antidiabetic agents

A series of novel N-substituted hydrazide derivatives were synthesized by reacting atranorin, a compound with a natural depside structure (1), with a range of hydrazines. The natural product and 12 new analogues (2–13) were investigated for inhibition of α-glucosidase. The N-substituted hydrazide derivatives showed more potent inhibition than the original. The experimental results were confirmed by docking analysis. This study suggests that these compounds are promising molecules for diabetes therapy. Molecular dynamics simulations were carried out with compound 2 demonstrating the best docking model using Gromac during simulation up to 20 ns to explore the stability of the complex ligand-protein. Furthermore, the activity of all synthetic compounds 2–13 against a normal cell line HEK293, used for assessing their cytotoxicity, was evaluated.

High-yielding cleavage of (aryloxy)acetates

A reliable and high-yielding one-pot sequence for the removal of O-carboxymethyl moieties from phenols is presented. When diethylphosphoryl azide is employed as the azide transfer reagent in the Curtius rearrangement and glycerol in the subsequent hydrolytic workup, the protocol can be reliably applied to a very broad scope of substrates. Wiley-VCH Verlag GmbH & Co. KGaA, 2008.