1-Ethynyl-4-(pent-1-yl)benzene
1-ethynyl-4-pentylbenzene
CAS: 79887-10-8
Molecular Formula: C13H16
1-Ethynyl-4-(pent-1-yl)benzene - Names and Identifiers
| Name | 1-ethynyl-4-pentylbenzene |
| Synonyms | 4-amylphenylacetylene 4-Ethynylpentylbenzene 4-Pentylphenylacetylene 4-penty phenyl acetylene 4-n-Pentylphenylacetylene 1-ethynyl-4-pentylbenzene 4-(Pent-1-yl)phenylacetylene 1-Ethynyl-4-(pent-1-yl)benzene |
| CAS | 79887-10-8 |
| InChI | InChI=1/C13H16/c1-3-5-6-7-13-10-8-12(4-2)9-11-13/h2,8-11H,3,5-7H2,1H3 |
1-Ethynyl-4-(pent-1-yl)benzene - Physico-chemical Properties
| Molecular Formula | C13H16 |
| Molar Mass | 172.266 |
| Density | 0.9g/cm3 |
| Melting Point | >240 °C (decomp) |
| Boling Point | 244.7°C at 760 mmHg |
| Flash Point | 93.2°C |
| Vapor Presure | 0.0468mmHg at 25°C |
| Refractive Index | 1.512 |
| Use | Application 4-pentylphenylacetylene is an organic intermediate, 4-pentylphenylacetylene can be obtained by reacting p-pentylbromobenzene with P-pentyliodobenzene with trimethylsilyl acetylene, and then removing trimethylsilyl with potassium carbonate. |
1-Ethynyl-4-(pent-1-yl)benzene - Risk and Safety
| Hazard Symbols | F - Flammable |
1-Ethynyl-4-(pent-1-yl)benzene - Upstream Downstream Industry
| Raw Materials | 4-N-PENTYLBENZALDEHYDE 4-IODOPENTYLBENZENE 4-PENTYLANILINE triMethyl((4-pentylphenyl)ethynyl)silane |
1-Ethynyl-4-(pent-1-yl)benzene - Security information
| WGK Germany | 3 |
| customs code | 29012990 |
Last Update：2024-04-10 22:29:15
1-Ethynyl-4-(pent-1-yl)benzene - Preparation
1) dissolve p-pentylbromobenzene (80,0.352mmol), trimethylsilicacetylene (60mL), bis (triphenylphosphorus) palladium dichloride (0.392g,0.56mmol), triphenylphosphine (1.144g,4.4mmol),CuI(0.308g,1.6mmol) in 440mL triethylamine, vacuumed for 3 times, protected by nitrogen, controlled the reaction temperature at about 50 ℃, and. HPLC dot plate monitors the basic complete reaction of the raw materials, cooling to room temperature, adding dilute hydrochloric acid to it, producing solid (triethylamine hydrochloride), filtering, adding 500mL of ethyl acetate and 500mL of water solution to the mother liquor, washing the water phase with ethyl acetate for the second time, combining the organic phase, drying with anhydrous magnesium sulfate, and concentrating the intermediate product 1(80g, yield 95.6%).
(2) add intermediate product 1(80g,0.37mol),MeOH(160mL),K2CO3(370g,0.27mol) into a single-mouth bottle and stir at room temperature for 2 hours. TLC(PE) point plate monitoring reaction is completed, filtration, concentration to remove methanol, addition of dichloromethane (200 mL) and water (200 mL) for extraction, aqueous phase extraction with dichloromethane three times, combined organic phase, with anhydrous magnesium sulfate drying, decompression concentration of intermediate product 4-pentylphenylacetylene (63g, yield 99.4%).
Last Update：2024-04-10 22:29:15
1-Ethynyl-4-(pent-1-yl)benzene - Nature
| storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Specific gravity | 0.89 |
| sensitivity | Light Sensitive |
Last Update：2024-04-09 21:04:16
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Raw Materials for 1-Ethynyl-4-(pent-1-yl)benzene