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593001 Sigma-Aldrich

4-tert-Butylphenylacetylene

96%

  • CAS Number 772-38-3

  • Linear Formula (CH3)3C6H4C≡CH

  • Molecular Weight 158.24

  •  MDL number MFCD00190197

  •  PubChem Substance ID 24881424

  •  NACRES NA.22

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Properties

Related Categories Alkynes, Building Blocks, Chemical Synthesis, Organic Building Blocks, Terminal More...
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

Packaging

5, 25 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS09  GHS09
Signal word 
Warning
Hazard statements 
Precautionary statements 
RIDADR 
UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
WGK Germany 
WGK 3
Flash Point(F) 
180.0 °F - closed cup
Flash Point(C) 
82.2 °C - closed cup

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Protocols & Articles

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Peer-Reviewed Papers
15

References

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