1-Ethynyl-4-pentylbenzene Chemical Properties

Melting point:

>240 °C (decomp)

Boiling point:

172 °C(lit.)

Density 

0.885 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.523(lit.)

Flash point:

218 °F

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

Chloroform

form 

Oil

color 

Pale Yellow

Specific Gravity

0.89

Sensitive 

Light Sensitive

CAS DataBase Reference

79887-10-8(CAS DataBase Reference)

Safety Information

Hazard Codes 

F

WGK Germany 

3

HS Code 

29012990

MSDS

• Language:English Provider:SigmaAldrich

1-Ethynyl-4-pentylbenzene Usage And Synthesis

Chemical Properties

Colorless to yellow liquid

Uses

4-Pentylphenylacetylene is an intermediate in the synthesis of new acid ceramidase-targeted acyclic 5-alkynyl and 5-heteroaryl uracil nucleosides.

Uses

Intermediates of Liquid Crystals

Definition

ChEBI: 4-Pentylphenylacetylene is a member of benzenes.

Synthesis

General procedure for the synthesis of 4-pentylphenylacetylene from trimethyl((4-pentylphenyl)ethynyl)silane: To a solution of tetrahydrofuran (THF, 6 mL) of trimethyl((4-pentylphenyl)ethynyl)silane (900 mg, 3.68 mmol) was added a solution of tetra-n-butylammonium fluoride (n-Bu4NF) in THF (1.0 M, 0.37 mL). The reaction mixture was stirred at room temperature for 1 hour. Upon completion of the reaction, the solvent was removed by rotary evaporator and the resulting residue was purified by silica gel column chromatography using hexane as eluent to afford 4-pentylphenylacetylene (615 mg, 97% yield) as a light yellow oil. The product was characterized by 1H NMR (CDCl3): δ 7.42 (d, J=8.3 Hz, 2H), 7.14 (d, J=8.3 Hz, 2H), 3.04 (s, 1H), 2.61 (t, J=7.8 Hz, 2H), 1.65-1.57 (m, 2H), 1.36-1.26 (m, 4H), 0.90 (t, J= 6.6Hz, 3H).

References

[1] Chemistry Letters, 2016, vol. 45, # 12, p. 1403 - 1405

1-Ethynyl-4-pentylbenzene(79887-10-8)Related Product Information

• Phenylacetylene
• alpha-Amylcinnamaldehyde
• TERT-AMYL METHYL ETHER
• 3-Ethynylaniline
• 4-(trans-4-Propylcyclohexyl)phenol
• 1-(2-(4-ETHOXYPHENYL)ETHYNYL)-4-PENTYLBENZENE
• 2-Chlorophenyl cyclopentyl ketone
• 1-ETHYNYL-4-HEPTYLBENZENE
• 1-Hexyl-4-[(4-methylphenyl)ethynyl]benzene
• 1-(4-METHOXYPHENYL)-2-(4-N-PROPYLPHENYL)ACETYLENE
• P-ETHYNYLOCTYLBENZENE
• 1-ETH-1-YNYL-4-HEXYLBENZENE
• 1-Ethyl-4-[2-(4-n-hexylphenyl)ethynyl]benzene
• 1-Eth-1-ynyl-4-(pentyloxy)benzene
• TRANS-1-(2-(4-(4-BUTYLCYCLOHEXYL)PHENYL)ETHYNYL)-4-ETHOXYBENZENE
• N-[3-(3-CHLORO-4-CYCLOHEXYLPHENYL)-2-PROPYNYL]-N-ETHYL-CYCLOHEXANE AMINE
• 1-[2-(4-BROMOPHENYL)ETHYNYL]-2-FLUORO-4-PENTYLBENZENE
• 4-(4-PROPYL-CYCLOHEXYL)-PHENYL ACETYLENE