33577-98-9

Basic information

• Product Name: 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID METHYL ESTER
• Synonyms: METHYL 4-(3-HYDROXY-3-METHYL-1-BUTYNYL)BENZOATE;METHYL 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOATE;AKOS PRN-0033;4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID METHYL ESTER
• CAS NO: 33577-98-9
• Molecular Formula: C₁₃H₁₄O₃
• Molecular Weight: 218.25
• Mol File: 33577-98-9.mol
• Article Data: 28

Chemical Properties

• Boiling Point: 338.4°Cat760mmHg
• Flash Point: 140.3°C
• Appearance: /
• Density: 1.15g/cm³
• Vapor Pressure: 3.83E-05mmHg at 25°C
• Refractive Index: 1.553
• CAS DataBase Reference: 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID METHYL ESTER(33577-98-9)
• EPA Substance Registry System: 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID METHYL ESTER(33577-98-9)

Safety Data

• Hazardous Substances Data: 33577-98-9(Hazardous Substances Data)

Usage

General Description

4-(3-hydroxy-3-methylbut-1-ynyl)benzoic acid methyl ester is a chemical compound with a molecular formula C12H12O3. It is a methyl ester of benzoic acid and contains a hydroxy and a methylbut-1-ynyl group. 4-(3-HYDROXY-3-METHYLBUT-1-YNYL)BENZOIC ACID METHYL ESTER is often used in the field of organic synthesis and pharmaceutical research to create new drugs or study their effects. It may have potential applications in the pharmaceutical industry due to its structure and properties. However, further research is needed to fully understand its potential uses and effects.

InChI:InChI=1/C13H14O3/c1-13(2,15)9-8-10-4-6-11(7-5-10)12(14)16-3/h4-7,15H,1-3H3

Upstream product

• 619-42-1 4-methoxycarbonylphenyl bromide 
• 115-19-5 2-methyl-but-3-yn-2-ol 
• 619-44-3 methyl 4-iodobenzoate 
• 586-76-5 4-Bromobenzoic acid 

Downstream Products

• 10602-00-3 4-Ethynyl-benzoic acid 
• 3034-86-4 4-ethynylbenzoic acid methyl ester 
• 952527-69-4 4-(3-methoxycarbonyloxy-3-methyl-but-1-ynyl)-benzoic acid methyl ester 
• 952527-22-9 4-(1-methoxycarbonyl-3-methyl-buta-1,2-dienyl)-benzoic acid methyl ester 
• 153114-60-4 (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 4-ethynylbenzoate 
• 676443-76-8 4-[3-(2,4-diamino-pyrimidin-5-ylmethyl)-4-methoxy-phenylethynyl]-benzoic acid methyl ester 
• 1260183-80-9 pentafluorophenyl 4-ethynylbenzoate 
• 62480-31-3 4-ethynylbenzoyl chloride 
• 144693-66-3 p-Ethynylbenzoic acid potassium salt 
• 1327278-69-2 3-tert-butyl-5-(4-vinylphenyl)-1,2,4-oxadiazole 
• 1327278-72-7 3-tert-butyl-5-(4-ethylphenyl)-1,2,4-oxadiazole 
• 1327278-70-5 3-tert-butyl-5-(4-ethynylphenyl)-1,2,4-oxadiazole 
• 1355320-80-7 methyl 4-[3,5-bis(hydroxymethyl)phenylethynyl]benzoate 
• 1355320-81-8 4-[3,5-bis(hydroxymethyl)phenylethynyl]benzoic acid 

Relevant articles and documents

Rhodium-catalyzed oxidative coupling of benzoic acids with propargyl alcohols: An efficient access to isocoumarins

An efficient protocol of Rh(III)-catalyzed oxidative cyclization of benzoic acids with propargyl alcohols to give substituted isocoumarins under mild conditions was reported. A variety of substrates were applied in this reaction in yields up to 89%.

RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF

Provided herein are a RET inhibitor, a pharmaceutical composition thereof and uses thereof. In particular, provided is a compound having Formula (I) or a stereoisomer, a geometric isomer, a tautomer, an N-oxide, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof. Provided is a pharmaceutical composition comprising the compound, and uses of the compound and pharmaceutical composition thereof for the preparation of a medicament, in particular for treatment and prevention of RET-related diseases and conditions, including cancer, irritable bowel syndrome, and/or pain associated with irritable bowel syndrome.

Sonogashira-Hagihara and Buchwald-Hartwig cross-coupling reactions with sydnone and sydnone imine derived catalysts

Seven different palladium complexes of sydnones and sydnone imines and a co-catalyst system consisting of lithium sydnone-4-carboxylate and Pd(PPh3)4 catalyzed Sonogashira-Hagihara reactions between (hetero)- aromatic bromides and 2-methylbut-3-yn-2-ol (52 examples, up to 100% yield). The co-catalyst system and a sydnone Pd complex were also tested in Buchwald-Hartwig reactions (9 examples, up to 100% yield). (Equation Presented).