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

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

Uses

Used in Chemical Synthesis:
TERT-BUTYL 4-ETHYNYLBENZOATE is used as an intermediate in the synthesis of various organic compounds for [application reason]. Its unique structure with an ethynyl group allows for further chemical reactions and modifications, making it a valuable building block in the creation of new molecules.
Used in Pharmaceutical Industry:
TERT-BUTYL 4-ETHYNYLBENZOATE is used as a precursor in the development of pharmaceutical compounds for [application reason]. Its chemical properties and reactivity can be harnessed to create new drug candidates with potential therapeutic applications.
Used in Material Science:
TERT-BUTYL 4-ETHYNYLBENZOATE is used as a component in the formulation of advanced materials for [application reason]. Its incorporation into materials can impart specific properties, such as improved stability or enhanced reactivity, which can be beneficial in various applications.
Used in Research and Development:
TERT-BUTYL 4-ETHYNYLBENZOATE is used as a research compound in academic and industrial laboratories for [application reason]. Its unique structure and reactivity make it an interesting subject for studies in organic chemistry, materials science, and related fields.

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

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

Downstream Products

• 116387-37-2 2-(pivaloylamino)-4-hydroxy-6-<<4-(tert-butoxycarbonyl)phenyl>ethynyl>pyrido<2,3-d>pyrimidine 
• 120034-09-5 1,4-bis<4-(tert-butoxycarbonyl)phenyl>-1,3-butadiyne 
• 116387-41-8 methyl 5-<<4-(tert-butoxycarbonyl)phenyl>ethynyl>-2-chloro-3-pyridinecarboxylate 
• 111292-01-4 tert-butyl 4-<<2-(pivaloylamino)-4(3H)-oxopteridin-6-yl>ethynyl>benzoate 
• 10602-00-3 4-Ethynyl-benzoic acid 
• 111291-98-6 tert-butyl 4-<(2-amino-3-cyanopyrazin-5-yl)ethynyl>benzoate 
• 1026325-20-1 C₃₃H₃₂O₆ 
• 910467-95-7 4-(4'-hydroxyphenylethynyl)benzoic acid 
• 111323-82-1 4-<<2-(pivaloylamino)-4(3H)-oxopteridin-6-yl>ethyl>benzoic acid 
• 111292-02-5 tert-butyl 4-<<2-(pivaloylamino)-4(3H)-oxopteridin-6-yl>ethyl>benzoate 
• 95693-76-8 (6RS)-5,10-dideaza-5,6,7,8-tetrahydrofolic acid 
• 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 
• 116387-38-3 2-amino-4-hydroxy-6-<(4-carbxyphenyl)ethynyl>pyrido<2,3-d>pyrimidine 
• 116387-23-6 diethyl N-(4-ethynylbenzoyl)-L-glutamate 

Relevant articles and documents

Synthesis, Spectroscopic, and 1O2Sensitization Characteristics of Extended Pd(II) 10,10-Dimethylbiladiene Complexes Bearing Alkynyl-Aryl Appendages

Photodynamic therapy (PDT), which involves the photoinduced sensitization of singlet oxygen, is an attractive treatment for certain types of cancer. The development of new photochemotherapeutic agents remains an important area of research. Macrocyclic tet

A New Class of Rigid Multi(azobenzene) Switches Featuring Electronic Decoupling: Unravelling the Isomerization in Individual Photochromes

We report a novel class of star-shaped multiazobenzene photoswitches comprising individual photochromes connected to a central trisubstituted 1,3,5-benzene core. The unique design of such C3-symmetric molecules, consisting of conformationally r

Ultrahigh Surface Area Zirconium MOFs and Insights into the Applicability of the BET Theory

An isoreticular series of metal-organic frameworks (MOFs) with the ftw topology based on zirconium oxoclusters and tetracarboxylate linkers with a planar core (NU-1101 through NU-1104) has been synthesized employing a linker expansion approach. In this se

A selective biomimetic tweezer for noradrenaline

The new highly preorganized tweezer molecule 1 binds noradrenaline in polar solvents with unprecedented specificity. It uses a biomimetic recognition pattern and rejects almost all other neurotransmitters. LB experiments on a film balance reflect the same

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.