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| | 1-Ethynyl-4-pentylbenzene Basic information |
| | 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.) | | Fp | 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 | | 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 Codes | F | | WGK Germany | 3 | | HS Code | 29012990 | | Storage Class | 10 - Combustible liquids |
| | 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 Preparation Products And Raw materials |
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