111291-97-5

Basic information

• Product Name: TERT-BUTYL 4-ETHYNYLBENZOATE
• Synonyms: TERT-BUTYL 4-ETHYNYLBENZOATE;methyl 4-ethynylbenzoate;RT-BUTYL 4-ETHYNYLBENZOATE;4-Ethynylbenzoic acid 1,1-dimethylethyl ester
• CAS NO: 111291-97-5
• Molecular Formula: C₁₃H₁₄O₂
• Molecular Weight: 202.24906
• Mol File: 111291-97-5.mol
• Article Data: 7

Chemical Properties

• Melting Point: 71.5-72 °C
• Boiling Point: 279.525 °C at 760 mmHg
• Flash Point: 112.148 °C
• Appearance: /
• Density: 1.046 g/cm³
• Vapor Pressure: 0.004mmHg at 25°C
• Refractive Index: 1.52
• Storage Temp.: 2-8°C
• CAS DataBase Reference: TERT-BUTYL 4-ETHYNYLBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYL 4-ETHYNYLBENZOATE(111291-97-5)
• EPA Substance Registry System: TERT-BUTYL 4-ETHYNYLBENZOATE(111291-97-5)

Safety Data

• Hazardous Substances Data: 111291-97-5(Hazardous Substances Data)

Usage

General Description

Tert-Butyl 4-ethynylbenzoate is an organic chemical compound with the formula C14H16O2. It falls under the class of organic compounds known as benzoic acid esters, which are characterized by an ester derivative of benzoic acid. This specific compound features a benzene ring connected to an ester functional group on one end and an ethynyl group on the other. The ethynyl group is characterized by terminal triple bonds. Tert-Butyl 4-ethynylbenzoate has a variety of potential applications due to its specific structure and chemical properties, but its primary usage isn't widely documented or discussed in general public knowledge. It's crucial to handle this chemical with care in a controlled environment due to potential safety hazards.

InChI:InChI=1/C13H14O2/c1-5-10-6-8-11(9-7-10)12(14)15-13(2,3)4/h1,6-9H,2-4H3

Upstream product

• 1711-02-0 4-iodobenzoic acid chloride 
• 619-58-9 4-iodobenzoic acid 
• 120363-13-5 tert-butyl 4-iodobenzoate 
• 1066-54-2 trimethylsilylacetylene 
• 59247-47-1 tert-butyl-4-bromobenzoate 
• 586-75-4 4-chlorobenzoyl chloride 
• 865-47-4 potassium tert-butylate 
• 62480-31-3 4-ethynylbenzoyl chloride 
• 111291-96-4 tert-butyl 4-<(trimethylsilyl)ethynyl>benzoate 

Downstream Products

• 116387-23-6 diethyl N-(4-ethynylbenzoyl)-L-glutamate 
• 1453193-32-2 C₃₇H₃₄BrNO₄ 
• 116387-24-7 diethyl N-<4-<<2-(pivaloylamino)-4-hydroxypyrido<2,3-d>pyrimidin-6-yl>ethynyl>benzoyl>-L-glutamate 
• 116387-35-0 2-(pivaloylamino)-4-hydroxy-6-<(carboxyphenyl)ethynyl>pyrido<2,3-d>pyrimidine 
• 116387-33-8 2-amino-4-hydroxy-6-<<4-(tert-butoxycarbonyl)phenyl>ethynyl>pyrido<2,3-d>pyrimidine 
• 116387-38-3 2-amino-4-hydroxy-6-<(4-carbxyphenyl)ethynyl>pyrido<2,3-d>pyrimidine 
• 116387-28-1 diethyl N-<4-<<2-(pivaloylamino)-4-hydroxy-5,6,7,8-tetrahydropyrido<2,3-d>pyrimidin-6-yl>ethyl>benzoyl>-L-glutamate 
• 95693-76-8 (6RS)-5,10-dideaza-5,6,7,8-tetrahydrofolic acid 
• 111292-02-5 tert-butyl 4-<<2-(pivaloylamino)-4(3H)-oxopteridin-6-yl>ethyl>benzoate 
• 111323-82-1 4-<<2-(pivaloylamino)-4(3H)-oxopteridin-6-yl>ethyl>benzoic acid 
• 910467-95-7 4-(4'-hydroxyphenylethynyl)benzoic acid 

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Process for the preparation of fused pyridine compounds

2-Amino-4-hydroxy-6-[2-(4-carboxyphenyl)alk-1-en-1-yl]pyrido[2,3,-d]pyrimidines and 2-amino-4-hydroxy-6-[2-(4-carboxyphenyl)alk-1-yn-1-yl]pyrido[2,3-d]pyrimidines are prepared through the reaction of a haloaromatic compound and an unsaturated compound in the presence of a palladium catalyst. The products are chemical intermediates for the preparation of antineoplastic agents. A typical embodiment is the reaction of a protected 2-amino-4-hydroxy-6-ethynylpyrido[2,3-d]pyrimidine and an ester of 4-iodobenzoic acid.