1-Ethynyl-3 5-dimethoxybenzene 98
- CAS No.
- 171290-52-1
- Chemical Name:
- 1-Ethynyl-3 5-dimethoxybenzene 98
- Synonyms
- Bexagliflozin Impurity 15;ethynyl-3,5-dimethoxybenzene;1-Ethylnyl-3,5-dimethoxybenzene;-ETHYNYL-3 5-DIMETHOXYBENZENE 98;Benzene, 1-ethynyl-3,5-diMethoxy-;1-Ethynyl-3 5-dimethoxybenzene 98;3,5-Dimethoxyphenylacetylene - [D52432];1-Ethynyl-3,5-diMethoxybenzene 98% (CP)
- CBNumber:
- CB1505153
- Molecular Formula:
- C10H10O2
- Molecular Weight:
- 162.19
- MDL Number:
- MFCD03839985
- MOL File:
- 171290-52-1.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 44-48 °C (lit.) |
|---|---|
| Boiling point | 264.1±30.0℃ (760 Torr) |
| Density | 1.06±0.1 g/cm3 (20 ºC 760 Torr) |
| Flash point | >230 °F |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | powder to crystal |
| color | White to Orange to Green |
| InChI | InChI=1S/C10H10O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h1,5-7H,2-3H3 |
| InChIKey | HUSBBWQIJMRKLI-UHFFFAOYSA-N |
| SMILES | C1(C#C)=CC(OC)=CC(OC)=C1 |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H317-H319 |
| Precautionary statements | P280-P302+P352-P305+P351+P338 |
| PPE | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| Hazard Codes | Xn |
| Risk Statements | 36-42/43 |
| Safety Statements | 22-26-36/37-45 |
| WGK Germany | 3 |
| HS Code | 2909309090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Sens. 1 |
1-Ethynyl-3 5-dimethoxybenzene 98 price More Price(66)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 588520 | 1-Ethynyl-3,5-dimethoxybenzene 98% (CP) | 171290-52-1 | 1g | $105 | 2026-04-30 | Buy |
| Sigma-Aldrich | 588520 | 1-Ethynyl-3,5-dimethoxybenzene 98% (CP) | 171290-52-1 | 5g | $657 | 2023-06-20 | Buy |
| TCI Chemical | E1175 | 1-Ethynyl-3,5-dimethoxybenzene >98.0%(GC) | 171290-52-1 | 200mg | $36 | 2026-04-30 | Buy |
| TCI Chemical | E1175 | 1-Ethynyl-3,5-dimethoxybenzene >98.0%(GC) | 171290-52-1 | 1g | $121 | 2026-04-30 | Buy |
| Apolloscientific | OR52391 | 1-Ethynyl-3,5-dimethoxybenzene 98% | 171290-52-1 | 250mg | $21 | 2026-06-04 | Buy |
1-Ethynyl-3 5-dimethoxybenzene 98 Chemical Properties, Uses, Production
Description
1-ethynyl-3,5-dimethoxybenzene is an organic reagent. Its benzene ring structure contains one acetylene group and two methoxy groups respectively, which are key structures for the synthesis of other heterocyclic compounds.
Synthesis
205746-51-6
171290-52-1
Under argon protection, 1-(2,2-dibromovinyl)-3,5-dimethoxybenzene (2.99 g, 9.28 mmol, 1 eq.) was dissolved in anhydrous tetrahydrofuran (50 mL) and stirred at -50 °C (dry ice/acetonitrile bath). Slowly n-butyllithium (24.0 mL, 1.6 M hexane solution, 38.4 mmol, 4.1 eq.) was added dropwise and the progress of the reaction was monitored by thin-layer chromatography (TLC) until the reaction was complete. The reaction mixture was quenched with saturated aqueous ammonium chloride solution (40 mL) and subsequently extracted with dichloromethane (3 x 20 mL). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give an orange-brown oil (1.61 g). Purification by fast column chromatography (eluent: pure pentane followed by 19:1 pentane:ether) afforded a colorless crystalline solid 3,5-dimethoxyphenylacetylene (1.22 g, 81% yield) with Rf = 0.24 (pentane) and a melting point of 205 °C. The NMR hydrogen spectrum (400 °F) of 3,5-dimethoxyphenylacetylene was obtained as follows. Its NMR hydrogen spectrum (400.1 MHz, CDCl3) data were as follows: δ 6.72 (d, J = 2.3 Hz, 2H, ArH), 6.50 (t, J = 2.3 Hz, 1H, ArH), 3.76 (s, 6H, OCH3), 3.15 (s, 1H, C≡CH). The NMR carbon spectrum (100.6 MHz, CDCl3) data are as follows: δ 160.6 (C), 123.4 (C), 110.0 (CH), 102.3 (CH), 83.7 (C), 76.9 (CH), 55.4 (CH3).
References
[1] Tetrahedron Letters, 2009, vol. 50, # 17, p. 1969 - 1972
[2] Chemistry Letters, 2008, vol. 37, # 2, p. 174 - 175
[3] Beilstein Journal of Organic Chemistry, 2015, vol. 11, p. 273 - 279
[4] European Journal of Medicinal Chemistry, 2011, vol. 46, # 6, p. 2386 - 2396
[5] Tetrahedron, 2017, vol. 73, # 33, p. 5023 - 5028
1-Ethynyl-3 5-dimethoxybenzene 98 Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai XIYU Chemical Technology Co.,Ltd. | 021-15000143735 15221126179 | sala@xiyuchem.com | China | 375 | 55 |
| Shanghai Yao Sen Biotechnology Co., LTD | 18916117619 18916117619 | 2648165562@qq.com | China | 492 | 58 |
| Shanghai Hope Chem Co., Ltd.， | +21-18501659228 18501659228 | info@hope-chem.com | China | 538 | 55 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Shanghai Yuanding Chem. Sci. & Tech. Co., Ltd. | 21-57721279 18121011378 | sales@shydchem.com.cn | China | 998 | 56 |
| Shanghai Longsheng chemical Co.,Ltd. | 58099637 13585536065 | sales@shlschem.com | China | 9880 | 59 |
| Nanjing Chemlin Chemical Co., Ltd | 025-83697070 13770331960 | info@chemlin.com.cn | China | 16305 | 64 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Shanghai Sphchem Co., Ltd. | 021-56491756 13512199871 | 2819742715@qq.com | China | 3994 | 55 |
View Latest Price from 1-Ethynyl-3 5-dimethoxybenzene 98 manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-06-30 | 1-ETHYNYL-3 5-DIMETHOXYBENZENE 98
171290-52-1
|
1KG | 98.0% | 10000KGS | Shaanxi Dideu New Materials Co. Ltd | ||
 |
2021-07-02 | 1-Ethynyl-3,5-dimethoxybenzene
171290-52-1
|
$10.00-15.00 | 1KG | 99%+ HPLC | Zhuozhou Wenxi import and Export Co., Ltd | ||
 |
2019-12-23 | 1-ETHYNYL-3 5-DIMETHOXYBENZENE 98
171290-52-1
|
$1.00 | 100g | 99% | Career Henan Chemical Co |
-
- 1-ETHYNYL-3 5-DIMETHOXYBENZENE 98
171290-52-1
- 98.0%
- Shaanxi Dideu New Materials Co. Ltd
-
- 1-Ethynyl-3,5-dimethoxybenzene
171290-52-1
- $10.00-15.00
- 99%+ HPLC
- Zhuozhou Wenxi import and Export Co., Ltd
-
- 1-ETHYNYL-3 5-DIMETHOXYBENZENE 98
171290-52-1
- $1.00
- 99%
- Career Henan Chemical Co
