2444-27-1

Basic information

• Product Name: 3-tert-butyl-4-hydroxyphenyl benzoate
• Synonyms: 3-tert-butyl-4-hydroxyphenyl benzoate
• CAS NO: 2444-27-1
• Molecular Formula: C₁₇H₁₈O₃
• Molecular Weight: 270.32302
• Mol File: 2444-27-1.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 3-tert-butyl-4-hydroxyphenyl benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: 3-tert-butyl-4-hydroxyphenyl benzoate(2444-27-1)
• EPA Substance Registry System: 3-tert-butyl-4-hydroxyphenyl benzoate(2444-27-1)

Safety Data

• Hazardous Substances Data: 2444-27-1(Hazardous Substances Data)

Upstream product

• 65-85-0 benzoic acid 
• 1948-33-0 tert-butylhydroquinone 
• 98-88-4 benzoyl chloride 

Downstream Products

• 85969-32-0 2',5,10'-tribenzyloxy-3',4,9'-tri-t-butylspiro(cyclohexa-3,5-diene-1,6'-dibenzo<1,3>dioxepin)-2-one 
• 85969-40-0 4-benzyloxy-3-t-butylphenol 
• 85969-31-9 5-benzoyloxy-2-benzyloxy-t-butylbenzene 

Relevant articles and documents

Discovery and SAR study of 3-(tert-butyl)-4-hydroxyphenyl benzoate and benzamide derivatives as novel farnesoid X receptor (FXR) antagonists

3-(tert-Butyl)-4-hydroxyphenyl 2,4-dichlorobenzoate (1) was discovered in our in-house high throughput screening as a moderate FXR antagonist. To improve the potency and the stability of the hit 1, forty derivatives were synthesized and SAR was systematically explored. The results turn out that replacing the 2,4-dichlorophenyl with 2,6-dichloro-4-amidophenyl shows great improvement in potency, replacing the benzoate with benzamide shows improvement in stability and slight declining of potency and 3-(tert-butyl)-4-hydroxyphenyl unit is essential in obtaining the FXR antagonistic activity.

HYDROQUINONE DERIVATIVES

A hydroquinone derivative useful as an intraocular pressure lowering, anti-hypertensive and radical scavenging agent represented by the following formula wherein B1 and B2 in formula (I) are the same or different and at any position on the benzene ring (when W is nitrogen, however, at any other position on the benzene ring) and each denotes a substituent selected from the group consisting of hydrogen, halogen, hydroxyl, lower alkoxyl and carboxyl, and the substituent CH3 is at position 2 or 3, and W are the same or different and each denotes a nitrogen or carbon atom. R1, R2, R3 and R4 in formula (II) are the same or different and each denotes a substituent selected from the group consisting of hydrogen, lower alkyl and lower alkoxyl, and B1 and B2 are as hereinbefore defined, or a pharmacologically acceptable salt thereof.

Oxidation of Alkoxyphenols. Part 28. On the Configuration of 2,2'-Diphenoquinones

The n.m.r. spectra of a number of 2,2'-diphenoquinones imply that they have the trans-configuration.The importance of charge-separated structures in unsymmetrical quinones is discussed in relation to the formation of oxepinobenzofurans.