1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone
- CAS No.
- 747414-17-1
- Chemical Name:
- 1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone
- Synonyms
- CaMbridgeSoft Licensing Violation;2’,4’-Dihydroxy-5’-isopropylacetophenone;1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone;1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethanone;1-(2,4-dihydroxy-5-isopropylphenyl)ethan-1-one;1-[2,4-Dihydroxy-5-(1-methylethyl)phenyl]ethanone;Ethanone, 1-[2,4-dihydroxy-5-(1-Methylethyl)phenyl]-;1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone USP/EP/BP
- CBNumber:
- CB02487544
- Molecular Formula:
- C11H14O3
- Molecular Weight:
- 194.23
- MDL Number:
- MFCD12827976
- MOL File:
- 747414-17-1.mol
- MSDS File:
- SDS
| Boiling point | 342℃ |
|---|---|
| Density | 1.156 |
| Flash point | 175℃ |
| storage temp. | Inert atmosphere,Room Temperature |
| pka | 8.49±0.23(Predicted) |
| Appearance | Yellow to orange Solid |
| InChI | InChI=1S/C11H14O3/c1-6(2)8-4-9(7(3)12)11(14)5-10(8)13/h4-6,13-14H,1-3H3 |
| InChIKey | YFIAXNACMLJXRX-UHFFFAOYSA-N |
| SMILES | C(=O)(C1=CC(C(C)C)=C(O)C=C1O)C |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| HS Code | 2914500090 |
1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone price More Price(35)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Activate Scientific | AS41411 | 1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone 97% | 747414-17-1 | 1g | $96 | 2026-06-04 | Buy |
| Activate Scientific | AS41411 | 1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone 97% | 747414-17-1 | 5g | $333 | 2026-06-04 | Buy |
| Synthonix | D54803 | 1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone 97% | 747414-17-1 | 100mg | $53 | 2026-05-06 | Buy |
| Synthonix | D54803 | 1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone 97% | 747414-17-1 | 250mg | $58 | 2026-05-06 | Buy |
| Synthonix | D54803 | 1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone 97% | 747414-17-1 | 1g | $60 | 2026-05-06 | Buy |
1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone Chemical Properties, Uses, Production
Uses
1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone acts as a reagent in the synthesis of 3,5-disubstituted-4-alkynylisoxozales as HSP90 inhibitors against various human cancer cell lines.
Synthesis
23504-03-2
64-19-7
747414-17-1
First, 4-isopropylbenzene-1,3-diol (I-4, 5.36 g, 35.25 mmol) was added to a unit equipped with two 250 mL flasks and a reflux condenser. Under nitrogen protection, 100 mL of 47% boron trifluoride ether solution was slowly injected for half an hour. Subsequently, 4.03 mL of glacial acetic acid was added and heated to reflux overnight in an oil bath. Upon completion of the reaction, the progress of the reaction was monitored by thin layer chromatography (TLC). After the reaction mixture was cooled to room temperature, 70 mL of 10% aqueous sodium acetate solution was added and stirred for 2 hours. The mixture was diluted to 250 mL with water and then extracted three times with ethyl acetate. The organic layers were combined and the solvent was removed by rotary evaporation. The organic phase was dried with anhydrous sodium sulfate and filtered to give a reddish brown solid. The solid was slurried in dichloromethane, which yielded a light yellow insoluble material upon addition. Filtration through a glass funnel and washing with dichloromethane resulted in 6.80 g of light yellow solid, the target compound I-5, in 99.4% yield.
References
[1] Patent: CN105439972, 2016, A. Location in patent: Paragraph 0094; 0095; 0107; 0108; 0109
[2] Journal of Medicinal Chemistry, 2008, vol. 51, # 2, p. 196 - 218
[3] Patent: CN103724269, 2016, B. Location in patent: Paragraph 0388; 0389; 0403; 0404; 0405; 0406
[4] Patent: US2009/76006, 2009, A1. Location in patent: Page/Page column 32; 41
[5] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 16, p. 3129 - 3134
1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone Preparation Products And Raw materials
Raw materials
1of2
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| NANJING DAOGE BIOPHARMA CO.,LTD. | 025-58227606 18021503536 | sale@daogepharm.com | China | 65 | 58 |
| Nanjing JinruiJiuAn Biotechnology Co., Ltd. | 025-58196018 800028039 | sales@fartop.net | China | 2227 | 55 |
| Haoyuan Chemexpress Co., Ltd. | 021-58950125 | info@chemexpress.com | China | 7545 | 61 |
| Nanjing Chalf-Pharm Technology Co., Ltd. | 025-57018978 18251899859 | sales@chalf-pharm.com | China | 5855 | 50 |
| Zhengzhou Guancheng Laboratory equipment Sales | 0371-88888888 qq272369594;2159423853qq | 2723695949@qq.com | China | 4990 | 50 |
| Nanjing River Chemical Co., Ltd. | 13951936332 18305166317 | info@serpharm.com | China | 493 | 55 |
| ChengDu TongChuangYuan Pharmaceutical Co.Ltd | 028-83379370 13880556291 | tcy@tcypharm.com | China | 8696 | 58 |
| Amadis Chemical Company Limited | 571-89925085 | sales@amadischem.com | China | 131885 | 58 |
| Wuxi AppTec | 022-59987777 13552403979 | jia_guoqiang@wuxiapptec.com | China | 22344 | 58 |
| Aikon International Limited | 025-58859352 13913916777 | dt3@aikonchem.com | China | 15490 | 58 |
