1-溴-4-乙炔苯
1-bromo-4-ethynylbenzene
CAS: 766-96-1
Molecular Formula: C8H5Br
1-溴-4-乙炔苯 - Names and Identifiers
| Name | 1-bromo-4-ethynylbenzene |
| Synonyms | 4-BROMOPHENYLACETYLENE 4-bromophenylacetylene (4-BroMphenyl)acetylene 4'-BROMOPHENYL ACETYLENE 1-bromo-4-ethynylbenzene 4'-bromophenyl acetylene Benzene, 1-broMo-4-ethynyl- |
| CAS | 766-96-1 |
| EINECS | 628-102-6 |
| InChI | InChI=1/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H |
1-溴-4-乙炔苯 - Physico-chemical Properties
| Molecular Formula | C8H5Br |
| Molar Mass | 181.03 |
| Density | 1.4255 (rough estimate) |
| Melting Point | 64-67°C(lit.) |
| Boling Point | 88-90°C 16mm |
| Flash Point | 88-90°C/16mm |
| Solubility | Soluble in chloroform, diethyl ether and ethanol. |
| Vapor Presure | 0.488mmHg at 25°C |
| Appearance | Powder, Crystalline Powder or Solid |
| Color | White to yellow |
| BRN | 1209726 |
| Storage Condition | Sealed in dry,Store in freezer, under -20°C |
| Refractive Index | 1.6411 (estimate) |
| MDL | MFCD00168822 |
1-溴-4-乙炔苯 - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | 61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 3077 9/PG 3 |
| WGK Germany | 2 |
| HS Code | 29039990 |
| Hazard Class | 9 |
| Packing Group | III |
1-溴-4-乙炔苯 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Overview | p-bromophenylacetylene is useful as an intermediate in the synthesis of pharmaceuticals. Halogenated phenylacetylene is a kind of important electronic chemical raw materials and organic synthesis intermediates. It is widely used in drugs, pesticides, catalysis, liquid crystal intermediates, inhibitors, electrode materials, luminescent coatings, corrosion inhibitors and so on. |
| Application | (4-bromophenyl) acetylene is a hydrocarbon organic compound, which can be used in organic synthesis. |
| Use | (4-bromophenyl) acetylene belongs to an aryl terminal alkyne, (4-bromophenyl) acetylene is an important intermediate in organic synthesis. Polyarylalkynes, polyaryldiacetylenes and arylacetylenes conjugated macromolecules obtained by aryl terminal alkynes not only have important applications in drugs, pesticides, etc, and in new organic functional materials and molecular electronic devices, such as organic light-emitting diodes, liquid crystal materials, nonlinear optical materials, gas separation membranes, molecular wires, molecular switches, molecular computer and other fields have a wide range of applications. |
| preparation | under the protection of nitrogen, add 25ml of triethylamine in sequence to the Schlenk reaction flask, 4-bromoiodobenzene 1.415g(5.0mmol), 2-methyl-3-butynyl-2-ol 420mg(5.0mmol), and BIS (triphenylphosphine) palladium dichloride (Pd(PPh3)2 Cl2)70mg(0.1mmol), triphenylphosphine (PPh3)105mg(0.4mmol), cuprous iodide (CuI)38mg(0.2mmol),35 C reaction to thin layer chromatography monitoring of raw material of bromoiodobenzene spots disappeared as the end point. The reaction solution was evaporated under reduced pressure to dry the solvent, and CH2Cl2 was dissolved, It was washed successively with 5% dilute hydrochloric acid and saturated NaCl solution, dried over anhydrous MgSO4, and filtered. The filtrate was evaporated to dryness under reduced pressure, and the crude product was purified by column chromatography (eluent: petroleum ether: ethyl acetate = 10: 1) to obtain 4-(4-bromophenyl). -2-methyl -3-butynyl-2-ol white solid 1.052g(4.4mmol), yield 90%. add toluene 30ml, 4-(4-bromophenyl) to the Schlenk reaction flask under nitrogen protection-2-methyl-3-butyn-2-ol 478mg(2.0mmol),NaOH 480mg(12mmol) and diethylene glycol monoethyl ether 8.6, 75 C reaction to thin layer chromatography to monitor the disappearance of the raw material spots as the end point. It was cooled to room temperature, washed successively with 5% dilute hydrochloric acid and saturated NaCl solution, dried over anhydrous MgSO4, and filtered. The filtrate was evaporated to dryness of the solvent under reduced pressure, and the crude product was purified by column chromatography (eluent petroleum ether) to give 319mg(1.76mmol) of a white solid. NMR spectra confirmed that the product was (4-bromophenyl) acetylene, yield 80%. |
Last Update：2024-04-10 22:29:15
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View History
1-溴-4-乙炔苯
Phloroglucinol Impurity 1
Pregabalin IMpurity III
5-Hydroxyvaleric acid 2,2-bis(hydroxymethyl)butyl ester
ALPHA,ALPHA,ALPHA-TRIS(HYDROXYMETHYL)ACETIC ACID
2,6-二硝基对叔丁基苯酚
Siponimod Impurity 1
METHYL 6-AMINO-5-BROMOPYRIDINE-2-CARBOXYLATE
Α-环戊基-Α-羟基苯乙酸甲酯
正丁基硼酸频呢醇酯
Phloroglucinol Impurity 1
Pregabalin IMpurity III
5-Hydroxyvaleric acid 2,2-bis(hydroxymethyl)butyl ester
ALPHA,ALPHA,ALPHA-TRIS(HYDROXYMETHYL)ACETIC ACID
2,6-二硝基对叔丁基苯酚
Siponimod Impurity 1
METHYL 6-AMINO-5-BROMOPYRIDINE-2-CARBOXYLATE
Α-环戊基-Α-羟基苯乙酸甲酯
正丁基硼酸频呢醇酯