593001

4-tert-Butylphenylacetylene

96%

• Synonym(s): (4-tert-Butylphenyl)ethyne, 1-(1,1-Dimethylethyl)-4-ethynylbenzene, 1-Ethynyl-4-(t-Butyl)benzene, 1-Ethynyl-4-tert-butylbenzene, 1-tert-Butyl-4-ethynylbenzene, 4-tert-Butyl-1-ethynylbenzene, p-tert-Butylphenylacetylene
• Linear Formula: (CH₃)₃C₆H₄C≡CH
• CAS Number: 772-38-3
• Molecular Weight: 158.24
• MDL number: MFCD00190197
• UNSPSC Code: 12352100
• PubChem Substance ID: 24881424
• NACRES: NA.22

Properties

• assay: 96%
• form: liquid
• bp: 70 °C/2 mmHg (lit.)
• density: 0.877 g/mL at 25 °C (lit.)
• SMILES string: CC(C)(C)c1ccc(cc1)C#C
• InChI: 1S/C12H14/c1-5-10-6-8-11(9-7-10)12(2,3)4/h1,6-9H,2-4H3
• InChI key: ZSYQVVKVKBVHIL-UHFFFAOYSA-N

Description

General description

4-tert-Butylphenylacetylene can be synthesized from 4-tert-butylstyrene.

Application

4-tert-Butylphenylacetylene can be used in the synthesis of the following:

• 1,6-bis(4-tert-butylphenyl)hexa-1,5-diyne-3,4-dione
• 4,4′,5,5′-tetra(4-tert-butylphenylethynyl)dibenzo-24-crown-8-ether via Sonogashira coupling reaction with 4,4′,5,5′-tetraiododibenzo-24-crown-8-ether
• 1-(4-tert-butylphenyl)-2-(4-tert-butyldimethylsiloxyphenyl)acetylene via palladium catalyzed coupling with 4-(tert-butyldimethylsiloxy)iodobenzene

Safety Information

• pictograms: GHS09
• signalword: Warning
• hcodes: H410
• pcodes: P273 - P391 - P501
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 180.0 °F - closed cup
• flash_point_c: 82.2 °C - closed cup
• ppe: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)