3-Butynyl p-toluenesulfonate
- Product Name
- 3-Butynyl p-toluenesulfonate
- CAS No.
- 23418-85-1
- Chemical Name
- 3-Butynyl p-toluenesulfonate
- Synonyms
- NSC 116062;3-BUTYNYL TOSYLATE;TIMTEC-BB SBB008912;4-Tosyloxy-1-butyne;1-Tosyloxy-3-butyne;3-Butyn-1-ol Tosylate;3-BUTYNYL P-TOLUENESULFONATE;3-BUTYNYL 4-TOLUENESULFONATE;3-BUTYNYL P-TOLUENESULPHONATE;3-Butynyl 4-toluenesuphonate
- CBNumber
- CB7105472
- Molecular Formula
- C11H12O3S
- Formula Weight
- 224.28
- MOL File
- 23418-85-1.mol
3-Butynyl p-toluenesulfonate Property
- Melting point:
- 42-45°
- Boiling point:
- 128°C 0,01mm
- Density
- 1.27 g/mL at 25 °C(lit.)
- refractive index
- n20/D 1.519(lit.)
- Flash point:
- >65°C
- storage temp.
- Refrigerator (+4°C)
- solubility
- Dichloromethane, Methanol
- form
- Liquid
- Specific Gravity
- 1.270
- color
- Clear slightly yellow
- BRN
- 3304257
- InChI
- 1S/C11H12O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h1,5-8H,4,9H2,2H3
- InChIKey
- STOASOOVVADOKH-UHFFFAOYSA-N
- SMILES
- Cc1ccc(cc1)S(=O)(=O)OCCC#C
- CAS DataBase Reference
- 23418-85-1(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36/37/38-22
- Safety Statements
- 26-36/37/39-37/39
- WGK Germany
- 3
- HS Code
- 29041000
- Storage Class
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
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.
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
- T2046
- Product name
- 3-Butynyl p-Toluenesulfonate
- Purity
- >97.0%(GC)
- Packaging
- 5g
- Price
- $147
- Updated
- 2025/07/31
- Product number
- 107
- Product name
- 3-BUTYNYL-P-TOL SULFONATE
- Packaging
- 1ea
- Price
- $62.04
- Updated
- 2021/12/16
- Product number
- B755400
- Product name
- 3-ButynylTosylate
- Packaging
- 10g
- Price
- $160
- Updated
- 2021/12/16
- Product number
- B755400
- Product name
- 3-ButynylTosylate
- Packaging
- 25g
- Price
- $340
- Updated
- 2021/12/16
- Product number
- AS102653
- Product name
- But-3-ynyl 4-methylbenzenesulfonate
- Purity
- 95%
- Packaging
- 1g
- Price
- $35
- Updated
- 2021/12/16
3-Butynyl p-toluenesulfonate Chemical Properties,Usage,Production
Chemical Properties
Clear slightly yellow liquid
Uses
An organic sulfur compound, 3-Butynyl p-toluenesulfonate can be used for controlling harmful arthropod.
Synthesis
98-59-9
927-74-2
23418-85-1
A hexane solution of n-butyllithium (n-BuLi, 2.80 mL, 2.60 M, 7.27 mmol) was slowly added dropwise to a tetrahydrofuran (THF, 7.5 mL) solution of 3-butyn-1-ol (0.50 mL, 6.61 mmol) at -78 °C. The reaction mixture was kept at -78 °C for 5 min before warming up to 0 °C and continued stirring for 30 min. Subsequently, a solution of p-Toluenesulfonyl chloride (p-TsCl, 1.51 g, 7.93 mmol) in THF (8 mL) was added and the reaction continued to be stirred at 0 °C for 30 min. Upon completion of the reaction, the reaction was quenched by the addition of water (2 mL) and the mixture was extracted with ether (Et2O, 3 × 10 mL). The organic phases were combined, dried with anhydrous sodium sulfate (Na2SO4), and concentrated under reduced pressure to remove the solvent to afford 3-butynyl p-toluenesulfonate (1.41 g, 95% yield) as a light yellow oil. The product was confirmed by nuclear magnetic resonance hydrogen spectroscopy (1H NMR, 400 MHz, CDCl3): δ 7.78 (d, J = 8.0 Hz, 2H), 7.33 (d, J = 8.0 Hz, 2H), 4.08 (t, J = 7.1 Hz, 2H), 2.53 (dt, J = 7.1, 2.6 Hz, 2H), 2.43 (s, 3H), 1.95 ( t, J = 2.6 Hz, 1H); nuclear magnetic resonance carbon spectrum (13C NMR, 100 MHz, CDCl3): δ 145.0, 132.7, 129.9, 127.9, 78.3, 70.7, 67.4, 21.6, 19.4; infrared spectra (IR, pure): 3290, 2962, 2919, 1598, 1359, 1190, 1176, 980, 904, 815 cm-1; mass spectra (ESI): m/z 247.0399 [C11H12O3S (M+23) theoretical value 247.0400], 471 (base), 247, 225.
IC 50
Cleavable Linker
References
[1] Nucleosides and Nucleotides, 1994, vol. 13, # 9, p. 2021 - 2034
[2] Synlett, 2001, # 12, p. 1971 - 1973
[3] Tetrahedron Letters, 2011, vol. 52, # 43, p. 5589 - 5592
[4] Organic and Biomolecular Chemistry, 2012, vol. 10, # 15, p. 3080 - 3091
[5] Chemical Communications, 2010, vol. 46, # 30, p. 5476 - 5478
3-Butynyl p-toluenesulfonate Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Butynyl p-toluenesulfonate manufacturers
- Product
- 3-Butynyl p-toluenesulfonate 23418-85-1
- Price
- US $3.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 100KG
- Release date
- 2020-01-30