| Identification | More | [Name]
1-Ethynyl-4-pentylbenzene | [CAS]
79887-10-8 | [Synonyms]
1-ETH-1-YNYL-4-PENTYLBENZENE
1-ETHYNYL-4-N-AMYLBENZENE
1-ETHYNYL-4-N-PENTYLBENZENE
1-ETHYNYL-4-PENTYLBENZENE
4-N-AMYLPHENYLACETYLENE
4-N-PENTYL-1-ETHYNYLBENZENE
4-N-PENTYLPHENYLACETYLENE
BUTTPARK 145\20-41
P-ETHYNYLPENTYLBENZENE
4-Pentylphenylacetylene
4-amylphenylacetylene
4-penty phenyl acetylene
4-Ethynylpentylbenzene
4-n-Pentylphenylacetylene
4-n-Pentylphenylacetylene ,99% | [Molecular Formula]
C13H16 | [MDL Number]
MFCD00173884 | [Molecular Weight]
172.27 | [MOL File]
79887-10-8.mol |
| Chemical Properties | Back Directory | [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.)
| [Fp ]
218 °F
| [storage temp. ]
Store Cold | [solubility ]
Chloroform | [form ]
Oil | [color ]
Pale Yellow | [Specific Gravity]
0.89 | [Sensitive ]
Light Sensitive | [Usage]
Intermediates of Liquid Crystals | [Detection Methods]
GC | [InChI]
1S/C13H16/c1-3-5-6-7-13-10-8-12(4-2)9-11-13/h2,8-11H,3,5-7H2,1H3 | [InChIKey]
APGNXGIUUTWIRE-UHFFFAOYSA-N | [SMILES]
CCCCCc1ccc(cc1)C#C | [CAS DataBase Reference]
79887-10-8(CAS DataBase Reference) |
| Hazard Information | Back Directory | [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 |
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