178445-86-8

Basic information

• Product Name: 1,1-DIMETHYLETHYL [3-[3-(3,4-DIMETHOXYPHENYL)-1-OXO-PROPYL]PHENOXY]-ACETATE
• Synonyms: 1,1-DIMETHYLETHYL [3-[3-(3,4-DIMETHOXYPHENYL)-1-OXO-PROPYL]PHENOXY]-ACETATE;tert-butyl 2-[3-[3-(3,4-dimethoxyphenyl)propanoyl]phenoxy]acetate
• CAS NO: 178445-86-8
• Molecular Formula: C₂₃H₂₈O₆
• Molecular Weight: 400.46
• Mol File: 178445-86-8.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 521.9 °C at 760 mmHg
• Flash Point: 224.7 °C
• Appearance: /
• Density: 1.124 g/cm³
• Vapor Pressure: 5.43E-11mmHg at 25°C
• Refractive Index: 1.531
• CAS DataBase Reference: 1,1-DIMETHYLETHYL [3-[3-(3,4-DIMETHOXYPHENYL)-1-OXO-PROPYL]PHENOXY]-ACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1-DIMETHYLETHYL [3-[3-(3,4-DIMETHOXYPHENYL)-1-OXO-PROPYL]PHENOXY]-ACETATE(178445-86-8)
• EPA Substance Registry System: 1,1-DIMETHYLETHYL [3-[3-(3,4-DIMETHOXYPHENYL)-1-OXO-PROPYL]PHENOXY]-ACETATE(178445-86-8)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 178445-86-8(Hazardous Substances Data)

Usage

General Description

The chemical "1,1-DIMETHYLETHYL [3-[3-(3,4-DIMETHOXYPHENYL)-1-OXO-PROPYL]PHENOXY]-ACETATE" is a complex organic compound that contains a phenoxy group and an acetate group. It has a molecular formula and structure that indicate it is derived from a combination of 3-(3-(3,4-dimethoxyphenyl)-1-oxo-propyl)phenoxy and 1,1-dimethylethyl. 1,1-DIMETHYLETHYL [3-[3-(3,4-DIMETHOXYPHENYL)-1-OXO-PROPYL]PHENOXY]-ACETATE may have potential applications in the fields of pharmaceuticals, agrochemicals, or materials science, but further research would be necessary to determine its specific uses and properties. Given its complex structure and potentially diverse functions, this chemical would likely require careful handling and consideration of its potential effects on human health and the environment.

InChI:InChI=1/C23H28O6/c1-23(2,3)29-22(25)15-28-18-8-6-7-17(14-18)19(24)11-9-16-10-12-20(26-4)21(13-16)27-5/h6-8,10,12-14H,9,11,15H2,1-5H3

Upstream product

• 5292-43-3 bromoacetic acid tert-butyl ester 
• 178445-83-5 3-(3,4-dimethoxyphenyl)-1-(3-hydroxyphenyl)-1-propanone 
• 215168-57-3 3,4-dimethoxy-3’-hydroxychalcone 
• 120-14-9 3,4-dimethoxy-benzaldehyde 
• 178445-80-2 (E)-1-(3,4-dimethoxyphenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one 
• 121-71-1 3-Hydroxyacetophenone 

Downstream Products

• 1392284-65-9 C₄₄H₅₇N₃O₁₀ 
• 1323151-35-4 tert-butyl 2-(3-(3-(3,4-dimethoxyphenyl)-1-hydroxypropyl)phenoxy)acetate 
• 178445-89-1 (R)-1-(3-(tert-butoxycarbonylmethoxy)phenyl)-3-(3,4-dimethoxyphenyl)-propan-1-ol 
• 1373829-44-7 2-(3-((R)-1-(((S)-1-(((9H-fluoren-9-yl)methoxy)carbonyl)piperidine-2-carbonyl)oxy)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid 
• 195202-02-9 (S)-1-(9H-fluoren-9-yl)methyl 2-((R)-1-(3-(2-tert-butoxy-2-oxo-ethoxy) phenyl)-3-(3,4-dimethoxyphenyl)propyl) piperidine-1,2-dicarboxylate 
• 195202-03-0 (S)-((R)-1-(3-(2-tert-butoxy-2-oxoethoxy)phenyl)-3-(3,4-dimethoxyphenyl)-propyl) piperidine-2-carboxylate 
• 1374119-23-9 2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(2-((1S,2R)-1-hydroxy-2-methyl cyclohexyl)-2-oxoacetyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetic acid 
• 1374119-24-0 2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(2-((1R,2S)-1-hydroxy-2-methyl cyclohexyl)-2-oxoacetyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetic acid 
• 1374119-22-8 2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(2-((1S,2S)-1-hydroxy-2-(hydroxylmethyl)cyclohexyl)-2-oxoacetyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetic acid 

Relevant articles and documents

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FK506-binding protein 35, FKBP35, has been implicated as an essential malarial enzyme. Rapamycin and FK506 exhibit antiplasmodium activity in cultured parasites. However, due to the highly conserved nature of the binding pockets of FKBPs and the immunosuppressive properties of these drugs, there is a need for compounds that selectively inhibit FKBP35 and lack the undesired side effects. In contrast to human FKBPs, FKBP35 contains a cysteine, C106, adjacent to the rapamycin binding pocket, providing an opportunity to develop targeted covalent inhibitors of Plasmodium FKBP35. Here, we synthesize inhibitors of FKBP35, show that they directly bind FKBP35 in a model cellular setting, selectively covalently modify C106, and exhibit antiplasmodium activity in blood-stage cultured parasites.