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593001

Sigma-Aldrich

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

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About This Item

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
Pricing and availability is not currently available.

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

General description

4-tert-Butylphenylacetylene can be synthesized from 4-tert-butylstyrene.[1]

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[1]
  • 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[2]
  • 1-(4-tert-butylphenyl)-2-(4-tert-butyldimethylsiloxyphenyl)acetylene via palladium catalyzed coupling with 4-(tert-butyldimethylsiloxy)iodobenzene[3]

Pictograms

Environment
GHS09

Signal Word

Warning

Hazard Statements

H410

Precautionary Statements

P273 - P391 - P501

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

180.0 °F - closed cup

Flash Point(C)

82.2 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB1396
STBL0484
STBK1108
STBJ3611
STBH6330

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"NIR chromophores from small acetylenic building blocks: a Diels?Alder approach to octaalkynylphthalocyanines"
Faust R and Mitzel F
Journal of the Chemical Society. Perkin Transactions 1, (22), 3746-3751 (2000)
"An efficient synthesis of 4, 4', 5, 5'-tetraiododibenzo-24-crown-8 and its highly conjugated derivatives"
Pak.JJ, et al.
Tetrahedron Letters, 47(02), 233-237 (2006)
Atsushi Tamura et al.
Beilstein journal of organic chemistry, 12, 2883-2892 (2017-02-02)
Cyclodextrin (CD)-threaded polyrotaxanes (PRXs) with reactive functional groups at the terminals of the axle polymers are attractive candidates for the design of supramolecular materials. Herein, we describe a novel and simple synthetic method for end-reactive PRXs using bis(2-amino-3-phenylpropyl) poly(ethylene glycol)
Li-Jing Han et al.
Dalton transactions (Cambridge, England : 2003), 49(24), 8347-8353 (2020-06-11)
A series of dinuclear platinum(ii) alkynyl complexes [Pt2L2(C[triple bond, length as m-dash]CC6H4R-4)4] (R = H 1, CH32, But3) and unusual tetranuclear Pt(ii)-Ag(i) clusters [Pt2Ag2L(C[triple bond, length as m-dash]CC6H4R-4)6] (R = H, 4; CH3, 5; But, 6), together with novel polymer
"Synthesis and gas permeation properties of poly (diphenylacetylenes) having bulky alkyl/silyl and hydroxy groups"
Hu Y, et al.
Journal of Membrane Science , 282(01), 423-429 (2006)

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