[3-(4-Methoxy-phenyl)-isoxazol-5-yl]-methanol
![[3-(4-Methoxy-phenyl)-isoxazol-5-yl]-methanol Structure](CAS/GIF/206055-86-9.gif)
- CAS No.
- 206055-86-9
- Chemical Name:
- [3-(4-Methoxy-phenyl)-isoxazol-5-yl]-methanol
- Synonyms
- (3-(4-methoxyphenyl)isoxazol-5;Methoxyphenylisoxazolylmethanol;5-Isoxazolemethanol, 3-(4-methoxyphenyl)-;[3-(4-METHOXYPHENYL)-5-ISOXAZOLYL]METHANOL;(3-(4-METHOXY PHENYL)ISOXAZOLE-5-YL)METHANOL;[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanol;[3-(4-Methoxy-phenyl)-isoxazol-5-yl]-methanol;5-(Hydroxymethyl)-3-(4-methoxyphenyl)isoxazole;(3-(4-Methoxyphenyl)isoxazol-5-yl)methanol - [M89222];5-(Hydroxymethyl)-3-(4-methoxyphenyl)isoxazole, 4-[5-(Hydroxymethyl)isoxazol-3-yl]anisole
- CBNumber:
- CB6680444
- Molecular Formula:
- C11H11NO3
- Molecular Weight:
- 205.21
- MDL Number:
- MFCD04124287
- MOL File:
- 206055-86-9.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 97-98°C |
|---|---|
| Boiling point | 396.1±37.0 °C(Predicted) |
| Density | 1.217±0.06 g/cm3(Predicted) |
| storage temp. | Store at room temperature |
| pka | 13.32±0.10(Predicted) |
| form | solid |
| Appearance | White to off-white Solid |
| InChI | 1S/C11H11NO3/c1-14-9-4-2-8(3-5-9)11-6-10(7-13)15-12-11/h2-6,13H,7H2,1H3 |
| InChIKey | SROFDUACOHNMJB-UHFFFAOYSA-N |
| SMILES | COc1ccc(cc1)-c2cc(CO)on2 |
| CAS DataBase Reference | 206055-86-9(CAS DataBase Reference) |
| UNSPSC Code | 12352200 |
| NACRES | NA.21 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H332-H335 |
| Precautionary statements | P261-P280-P305+P351+P338 |
| Hazard Codes | Xi,Xn |
| Risk Statements | 22 |
| HazardClass | IRRITANT |
| HS Code | 2934999090 |
[3-(4-Methoxy-phenyl)-isoxazol-5-yl]-methanol price More Price(49)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Apolloscientific | OR14216 | [3-(4-Methoxyphenyl)isoxazol-5-yl]methanol ≥95% | 206055-86-9 | 250mg | $21 | 2026-06-04 | Buy |
| Chem-Impex | 17314 | [3-(4-Methoxyphenyl)isoxazol-5-yl]methanol ≥97%(HPLC) | 206055-86-9 | 250MG | $74.81 | 2026-05-19 | Buy |
| Chem-Impex | 17314 | [3-(4-Methoxyphenyl)isoxazol-5-yl]methanol ≥97%(HPLC) | 206055-86-9 | 1G | $162.64 | 2026-05-19 | Buy |
| Chem-Impex | 17314 | [3-(4-Methoxyphenyl)isoxazol-5-yl]methanol ≥97%(HPLC) | 206055-86-9 | 5G | $426.94 | 2026-05-19 | Buy |
| Matrix Scientific | 042989 | [3-(4-Methoxyphenyl)-5-isoxazolyl]methanol | 206055-86-9 | 500.00mg | $244 | 2026-05-18 | Buy |
[3-(4-Methoxy-phenyl)-isoxazol-5-yl]-methanol Chemical Properties, Uses, Production
Synthesis
107-19-7
38435-51-7
![[3-(4-METHOXY-PHENYL)-ISOXAZOL-5-YL]-METHANOL](/CAS/GIF/206055-86-9.gif)
206055-86-9
General procedure for the synthesis of [3-(4-methoxyphenyl)-5-isoxazolyl]methanol from 2-propyn-1-ol and α-chloro-4-methoxybenzaldehyde oxime: N-chlorosuccinimide (NCS) (in small amount) was slowly added to a solution of (E)-4-methoxybenzaldehyde oxime (790.0 mg, 5.3 mmol) in DMF (15.8 mL). If the reaction temperature did not increase, 1 N HCl (50.0 μL) was added to promote the reaction. Subsequently, NCS (774.2 mg, 5.8 mmol) was added. The reaction mixture was stirred at room temperature for 1 h and the progress of the reaction was monitored by TLC. Upon completion of the reaction, the reaction was quenched by the addition of ether (20.0 mL) and washed with NaCl solution (2 × 20.0 mL). The organic phase was dried with anhydrous Na2SO4 and the solvent was subsequently removed by rotary evaporation. The resulting carboxyiminocarbonyl chloride was dissolved in t-BuOH:H2O (1:1, 3.8 mL), followed by sequential addition of ethynyl alcohol (340.0 μL, 5.8 mmol), CuSO4 (7.5 mg, dissolved in 50.0 μL of water), sodium ascorbate (104.40 mg, 0.5 mmol) and NaHCO3 (1.3 g, 15.8 mmol). The reaction mixture was stirred for 4 h, after which it was diluted with ethyl acetate (20.0 mL) and washed with H2O (2 × 20.0 mL). The organic phase was dried with anhydrous Na2SO4 and the solvent was removed under reduced pressure. Purification by column chromatography [eluent: hexane:ethyl acetate, 8:2 (v/v)] afforded the target compound [3-(4-methoxyphenyl)-5-isoxazolyl]methanol (d1) as a pale yellow solid (890.0 mg, 4.3 mmol, 82% yield). Melting point: 90-92 °C. Rf value: 0.40 [Expanding agent: hexane:ethyl acetate, 60:40 (v/v)]. IR (KBr, cm-1): 3352, 2837, 1610, 1527, 1431, 1259, 1082, 840, 802. 1H NMR (400 MHz, CDCl3) δ: 7.74 (d, J = 8.5 Hz, 2H), 6.98 (d, J = 8.5 Hz, 2H), 6.52 (s, 1H), 4.81 (s, 2H), 3.86 (s, 3H).13C NMR (100 MHz, CDCl3) δ: 171.5, 162.1, 161.0, 128.2, 121.4, 114.3, 99.8, 56.7, 55.4. 55.4.
References
[1] Journal of the Iranian Chemical Society, 2014, vol. 11, # 2, p. 361 - 367
[2] Journal of the Chinese Chemical Society, 2007, vol. 54, # 3, p. 643 - 652
[3] Synthesis, 2002, # 12, p. 1663 - 1668
[4] Patent: EP2308838, 2011, A1. Location in patent: Page/Page column 79-80
[5] Letters in Organic Chemistry, 2011, vol. 8, # 4, p. 278 - 281
[3-(4-Methoxy-phenyl)-isoxazol-5-yl]-methanol Preparation Products And Raw materials
Raw materials
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Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Shanghai Ennopharm Co., Ltd. | +86 (21) 6435-5022 | China | 4263 | 65 | |
| Shanghai Litong Chemical Technology Co.,Ltd. | 13598610367 0373-7129549 | 2468833170@qq.com | China | 932 | 58 |
| Shanghai Aladdin Bio-Chem Technology Co.,LTD | 400-6206333 13167063860 | anhua.mao@aladdin-e.com | China | 29977 | 65 |
| Shanghai Worldyang Chemical Co.,Ltd. | 021-56795766 | sales@worldyachem.com | China | 9475 | 58 |
| Shanghai YuLue Chemical Co., Ltd. | 021-60345187 13671753212 | lzz841106@aliyun.com | China | 10244 | 55 |
| Shanghai Na Qian Chemical Technology Co. Ltd. | 13598610367 13598610367 | 2841375912@qq.com | China | 3760 | 52 |
| JW & Y Pharmlab Co., Ltd. | 021-64340559 | xinyu_shi@jwypharmlab.com.cn | China | 11999 | 58 |
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