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- 4-Ethynyltoluene
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2026-03-20
- CAS:766-97-2
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: 20 mt
- p-Tolylacetylene
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- $100.00
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2023-09-07
- CAS:766-97-2
- Min. Order: 1drum
- Purity: 99
- Supply Ability: 5000
- 4-Ethynyltoluene
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- $15.00
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2021-07-13
- CAS:766-97-2
- Min. Order: 1KG
- Purity: 99%+ HPLC
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| | 4-Ethynyltoluene Chemical Properties |
| Melting point | 168-170 | | Boiling point | 168-170 °C(lit.) | | density | 0.916 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.547(lit.) | | Fp | 120 °F | | storage temp. | Sealed in dry,2-8°C | | form | Liquid | | color | Clear pale yellow | | Specific Gravity | 0.916 | | Water Solubility | Insoluble in water. | | BRN | 969653 | | InChI | InChI=1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3 | | InChIKey | KSZVOXHGCKKOLL-UHFFFAOYSA-N | | SMILES | C1(C#C)=CC=C(C)C=C1 | | CAS DataBase Reference | 766-97-2(CAS DataBase Reference) | | NIST Chemistry Reference | Benzene, 1-ethynyl-4-methyl-(766-97-2) |
| Hazard Codes | Xi,Xn | | Risk Statements | 10-36/37/38 | | Safety Statements | 16-26-27-36/37/39 | | RIDADR | UN 3295 3/PG 3 | | WGK Germany | 3 | | RTECS | XT2570000 | | Hazard Note | Irritant/Keep Cold | | HazardClass | 3 | | PackingGroup | III | | HS Code | 29029090 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| | 4-Ethynyltoluene Usage And Synthesis |
| Synthesis | A magnetically stirred [Pd(PPh3)2Cl2] (0.02 mmol; 14 mg), CuI (0.04 mmol; 7.6 mg), and bromine substrate (1 mmol) were placed in an oven-dried screw-cap reaction tube. Anhydrous THF (1 mL) was then added under nitrogen atmosphere with stirring at room temperature, followed by triethylamine (1.55 mmol; 216 μL). Trimethylsilylacetylene (1.25 mmol; 176 μL) was slowly added to the reaction mixture under nitrogen atmosphere. The reaction gradually darkened. The reaction mixture was continuously stirred at room temperature for 24 hours. The reaction was monitored by TLC. Once the reaction was complete, the mixture was diluted with 5 mL of EtOAc and filtered through diatomaceous earth. The filtrate was evaporated under reduced pressure, and the compounds were separated by silica gel column chromatography (100-200 mesh). The terminal alkyne was then obtained by hydrolysis of the 4-(trimethylsilyl)acetylene substrate. The TMS acetylene base was dissolved in 1.5 mL of MeOH, and anhydrous K₂CO₃ was added under a N₂ atmosphere. The reaction mixture was stirred at room temperature for 3 hours. After completion, the reaction mixture was filtered through diatomaceous earth, the filtrate was evaporated under reduced pressure, and purified by silica gel column chromatography (100-200 mesh) to give the title compound 4-tolylacetylene.
 Figure 4-Ethynyltoluene Synthetic Route | | Chemical Properties | Clear pale yellow liquid | | Uses | 4-Ethynyltoluene was used in the synthesis of bis(bicyclic) products by the cycloaddition of alkynes to the AlN2C2. | | Uses | Intermediates of Liquid Crystals | | Definition | ChEBI: 4-Ethynyltoluene is a member of toluenes. |
| | 4-Ethynyltoluene Preparation Products And Raw materials |
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