1-Butyl-4-eth-1-ynylbenzene
- Product Name
- 1-Butyl-4-eth-1-ynylbenzene
- CAS No.
- 79887-09-5
- Chemical Name
- 1-Butyl-4-eth-1-ynylbenzene
- Synonyms
- 1-BUTYL-4-ETHYNYLBENZENE;79887-09-05;4-BUTYLPHENYLACETYLENE;-4-ethynyL;4-butylphenylene;BUTTPARK 145\20-77;(P-BUTYLPHENYL)ACETYLENE;1-Eth-1-ynyl-4-butylbenzene;1-BUTYL-4-ETH-1-YNYLBENZENE;BENZENE, 1-BUTYL-4-ETHYNYL-
- CBNumber
- CB9406410
- Molecular Formula
- C12H14
- Formula Weight
- 158.24
- MOL File
- 79887-09-5.mol
1-Butyl-4-eth-1-ynylbenzene Property
- Boiling point:
- 70-71°C 3mm
- Density
- 0.906 g/mL at 25 °C(lit.)
- refractive index
- n20/D 1.527(lit.)
- Flash point:
- 215 °F
- storage temp.
- Inert atmosphere,2-8°C
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Specific Gravity
- 0.93
- CAS DataBase Reference
- 79887-09-5(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 36/37/38
- Safety Statements
- 26-36-37/39-36/37/39
- WGK Germany
- 3
- Hazard Note
- Irritant
- HS Code
- 29029090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 521086
- Product name
- 1-Butyl-4-ethynylbenzene
- Purity
- 95%
- Packaging
- 5g
- Price
- $64.88
- Updated
- 2025/07/31
- Product number
- B2301
- Product name
- 1-Butyl-4-ethynylbenzene
- Purity
- >97.0%(GC)
- Packaging
- 5g
- Price
- $44
- Updated
- 2025/07/31
- Product number
- B2301
- Product name
- 1-Butyl-4-ethynylbenzene
- Purity
- >97.0%(GC)
- Packaging
- 25g
- Price
- $176
- Updated
- 2025/07/31
- Product number
- B809778
- Product name
- 4-Butylphenylacetylene
- Packaging
- 500mg
- Price
- $75
- Updated
- 2021/12/16
- Product number
- FB35105
- Product name
- 1-Butyl-4-eth-1-ynylbenzene
- Packaging
- 10g
- Price
- $84
- Updated
- 2021/12/16
1-Butyl-4-eth-1-ynylbenzene Chemical Properties,Usage,Production
Chemical Properties
Light yellow liquid
Uses
4-Butylphenylacetylene is a useful research chemical, an intermediates of Liquid Crystals.
Synthesis
202524-78-5
79887-09-5
General steps: 1. Under argon protection, Pd(OAc)? (13.5 mg, 0.06 mmol), PPh? (31.5 mg, 0.12 mmol), CuI (5.7 mg, 0.03 mmol) and 1-bromo-4-butylbenzene (639 mg, 3.00 mmol) were dissolved in triethylamine (1 mL). A solution of trimethylmethylsilylacetylene (324 mg, 3.30 mmol) was subsequently added. 2. The reaction mixture was stirred at 80 °C for 4 h. Upon completion of the reaction, it was acidified with 1N HCl aqueous solution. 3. Deionized water and EtOAc were added, partitioned and the organic layer was collected. The aqueous layer was extracted with EtOAc and the organic layers were combined. 4. The organic layer was washed with saturated brine, dried over anhydrous MgSO?, filtered and concentrated under reduced pressure. 5. The crude product was purified by silica gel column chromatography with the eluent of petroleum ether/EtOAc (100:1, v/v, Rf = 0.43) to afford 1-(4-butylphenyl)-2-trimethylsilylacetylene (S8) as a light yellow oil (550 mg, 2.40 mmol, 80% yield). 6. S8 (550 mg, 2.40 mmol) and K?CO? (495 mg, 3.58 mmol) were suspended in MeOH (12 mL) and stirred at room temperature for 4 hours. 7. The reaction mixture was filtered through diatomaceous earth and the filtrate was concentrated under reduced pressure. 8. Deionized water and EtOAc were added, partitioned and the organic layer was collected. The aqueous layer was extracted with EtOAc and the organic layers were combined. 9. The organic layer was washed with saturated brine, dried over anhydrous MgSO?, filtered and concentrated under reduced pressure. 10. The crude product was purified by silica gel column chromatography with the eluent petroleum ether/EtOAc (50:1, v/v, Rf = 0.50) to afford 1-butyl-4-ethynylbenzene (S9) as a light yellow oil (340 mg, 2.15 mmol, 90% yield). 11. Under argon protection, Pd(OAc)? (8.8 mg, 0.039 mmol), PPh? (20.5 mg, 0.078 mmol), CuI (3.7 mg, 0.020 mmol) and S9 (340 mg, 2.15 mmol) were dissolved in triethylamine (1 mL). 12. The reaction mixture was stirred at 80 °C for 4 h. Upon completion of the reaction, it was acidified with 1N HCl aqueous solution. 13. The reaction mixture was treated according to the post-synthesis treatment of S8, and the crude product was purified by silica gel column chromatography with the eluent of petroleum ether/EtOAc (50:1, v/v, Rf = 0.30) to afford 1-butyl-4-phenylethynyl (4c) as a yellow solid (340 mg, 1.17 mmol, 60% yield).
References
[1] Bulletin of the Chemical Society of Japan, 2018, vol. 91, # 7, p. 1069 - 1074
[2] Journal of Medicinal Chemistry, 1991, vol. 34, # 4, p. 1440 - 1446
1-Butyl-4-eth-1-ynylbenzene Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 1-Butyl-4-eth-1-ynylbenzene manufacturers
- Product
- 4-Butylphenylacetylene 79887-09-5
- Price
- US $2.20-8.80/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 1000kg
- Release date
- 2025-06-13
- Product
- 1-Butyl-4-eth-1-ynylbenzene 79887-09-5
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-11
- Product
- 1-Butyl-4-eth-1-ynylbenzene 79887-09-5
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-09