1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone

1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone Suppliers list
Company Name: NANJING DAOGE BIOPHARMA CO.,LTD.  Gold
Tel: 025-58227606 18021503536
Email: sale@daogepharm.com
Company Name: Nanjing JinruiJiuAn Biotechnology Co., Ltd.  
Tel: 025-58196018 800028039
Email: sales@fartop.net
Company Name: Haoyuan Chemexpress Co., Ltd.  
Tel: 021-58950125
Email: info@chemexpress.com
Company Name: Nanjing Chalf-Pharm Technology Co., Ltd.  
Tel: 025-57018978 18251899859
Email: sales@chalf-pharm.com
Company Name: Zhengzhou Guancheng Laboratory equipment Sales  
Tel: 0371-88888888 qq272369594;2159423853qq
Email: 2723695949@qq.com
1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone Basic information
Product Name:1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone
Synonyms:1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone;CaMbridgeSoft Licensing Violation;Ethanone, 1-[2,4-dihydroxy-5-(1-Methylethyl)phenyl]-;1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethanone;1-(2,4-dihydroxy-5-isopropylphenyl)ethan-1-one;2’,4’-Dihydroxy-5’-isopropylacetophenone;1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone USP/EP/BP;1-[2,4-Dihydroxy-5-(1-methylethyl)phenyl]ethanone
CAS:747414-17-1
MF:C11H14O3
MW:194.23
EINECS:
Product Categories:
Mol File:747414-17-1.mol
1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone Structure
1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone Chemical Properties
Boiling point 342℃
density 1.156
Fp 175℃
storage temp. Inert atmosphere,Room Temperature
pka8.49±0.23(Predicted)
AppearanceYellow to orange Solid
InChIInChI=1S/C11H14O3/c1-6(2)8-4-9(7(3)12)11(14)5-10(8)13/h4-6,13-14H,1-3H3
InChIKeyYFIAXNACMLJXRX-UHFFFAOYSA-N
SMILESC(=O)(C1=CC(C(C)C)=C(O)C=C1O)C
Safety Information
HS Code 2914500090
MSDS Information
1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone Usage And Synthesis
Uses1-(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
4-isopropylresorcinol

23504-03-2

Acetic acid

64-19-7

1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone

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 materials2,4-Dihydroxyacetophenone-->4-isopropylresorcinol-->Acetic acid-->2-Bromopropane-->Acetonitrile-->Sodium acetate
Tag:1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone(747414-17-1) Related Product Information
Lithium diisopropylamide Cumene 2-Bromopropane 2-Chloropropane 2'-Hydroxy-5'-isopropylacetophenone 2',4'-Dihydroxy-3'-methylacetophenone