52888-72-9

Basic information

• Product Name: Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-, methyl ester
• Synonyms: methyl 5-tert-butyl-2-hydroxybenzoate;Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-, methyl ester
• CAS NO: 52888-72-9
• Molecular Formula: C₁₂H₁₆O₃
• Molecular Weight: 208.25
• Mol File: 52888-72-9.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 90-100 °C
• Appearance: /
• Density: 1.082±0.06 g/cm3(Predicted)
• PKA: 9.97±0.18(Predicted)
• CAS DataBase Reference: Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-, methyl ester(52888-72-9)
• EPA Substance Registry System: Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-, methyl ester(52888-72-9)

Safety Data

• Hazardous Substances Data: 52888-72-9(Hazardous Substances Data)

Usage

General Description

Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-, methyl ester is a chemical compound commonly known as methyl 3-tert-butyl-4-hydroxybenzoate. It is an organic compound and ester of benzoic acid and is commonly used as a food preservative, particularly in acidic environments. It is also used as a fragrance ingredient and in the manufacturing of personal care products and pharmaceuticals. The chemical is a white crystalline powder that is insoluble in water but soluble in organic solvents. It is known for its antioxidant properties and is used to prevent the spoilage of food and other products by inhibiting the growth of mold, yeast, and bacteria.

Upstream product

• 75-65-0 tert-butyl alcohol 
• 119-36-8 methyl salicylate 
• 534-22-5 2-methylfuran 
• 20607-85-6 methyl 4,4-dimethyl-2-pentynoate 
• 507-19-7 t-butyl bromide 
• 98-54-4 para-tert-butylphenol 
• 56-23-5 tetrachloromethane 
• 87-19-4 isobutyl salicylate 
• 7637-07-2 boron trifluoride 
• 67-56-1 methanol 
• 16094-31-8 5-tert-butylsalicylic acid 

Downstream Products

• 59238-73-2 2-[Benzoyl-(4-tert-butyl-phenyl)-amino]-5-tert-butyl-benzoic acid methyl ester 
• 59238-35-6 2-Carboxy-4,4'-di-t-butyldiphenylamin 
• 867218-25-5 5-tert-butyl-2-{3,5-difluoro-4-(1-methyl-3-phenyl-propylamino)-6-[3-(5-trifluoromethyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-pyridin-2-yloxy}-benzoic acid methyl ester 
• 59238-50-5 5-tert-Butyl-2-[N-(2-tert-butyl-phenyl)-benzimidoyloxy]-benzoic acid methyl ester 
• 59238-70-9 5-tert-Butyl-2-[N-(4-tert-butyl-phenyl)-benzimidoyloxy]-benzoic acid methyl ester 
• 59238-52-7 5-tert-Butyl-2-(N-phenyl-benzimidoyloxy)-benzoic acid methyl ester 
• 16094-31-8 5-tert-butylsalicylic acid 

Relevant articles and documents

WDR5-MYC INHIBITORS

Substituted N-phenyl sulfonamide compounds inhibit WDR5-MYC interactions, and the compounds and their pharmaceutical compositions are useful for treating disorders and conditions in a subject, such as cancer cell proliferation.

METHOD TO PREPARE PHENOLICS FROM BIOMASS

The present invention is directed to a method for preparing a final phenolic product from biomass comprising the steps of providing a furanic compound obtainable from biomass; reacting the furanic compound with a dienophile to obtain a phenolic compound; reacting the phenolic compound further to obtain the final phenolic product.

The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex

The activated Factor VII/tissue factor complex (FVIIa/TF) plays a key role in the formation of blood clots. Inhibition of this complex may lead to new antithrombotic drugs. An X-ray crystal structure of a fluoropyridine-based FVIIa/TF inhibitor bound in the active site of the enzyme complex suggested that incorporation of substitution at the 5-position of the hydroxybenzoic acid side chain could lead to the formation of more potent inhibitors through interactions with the S1′/S2′ pocket.