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| | 4-Hydroxyheptanophenone Basic information |
| Product Name: | 4-Hydroxyheptanophenone | | Synonyms: | HEXYL 4-HYDROXYPHENYL KETONE;4''-HYDROXY-N-HEPTANOPHENONE 98+%;1-(4-hydroxyphenyl)heptan-1-one;4-Heptanoylphenol;p-Hydroxyheptanophenone;4-hydroxy-1-phenyl-1-heptanone;1-(4-Hydroxyphenyl)-1-heptanone;4'-HYDROXY-N-HEPTANOPHENONE | | CAS: | 14392-72-4 | | MF: | C13H18O2 | | MW: | 206.28 | | EINECS: | | | Product Categories: | | | Mol File: | 14392-72-4.mol |  |
| | 4-Hydroxyheptanophenone Chemical Properties |
| Melting point | 93°C | | Boiling point | 220°C 15mm | | density | 1.021±0.06 g/cm3(Predicted) | | storage temp. | Inert atmosphere,Room Temperature | | form | powder to crystal | | pka | 8.18±0.15(Predicted) | | color | White to Almost white | | InChI | InChI=1S/C13H18O2/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,14H,2-6H2,1H3 | | InChIKey | MAZPQHJYGKZQEA-UHFFFAOYSA-N | | SMILES | C(C1=CC=C(O)C=C1)(=O)CCCCCC | | CAS DataBase Reference | 14392-72-4(CAS DataBase Reference) |
| Hazard Codes | Xi,N,Xn | | Risk Statements | 36/37/38-51/53-36-22 | | Safety Statements | 26-36/37/39-61 | | RIDADR | UN 3077 9 / PGIII | | WGK Germany | 3 | | HS Code | 2914.50.3000 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Irrit. 2 |
| | 4-Hydroxyheptanophenone Usage And Synthesis |
| Synthesis | GENERAL METHOD: Phenol (0.28 mmol) was co-dissolved with heptanoyl chloride (0.28 mmol) in trifluoromethanesulfonic acid (TfOH, 3 mL) at 0 °C. The reaction mixture was then slowly warmed to room temperature under the conditions shown in Table 2 and maintained for an appropriate reaction time. Upon completion of the reaction, the mixture was poured into a pre-cooled mixture of distilled water and ethyl acetate. The organic phase was separated and washed sequentially with 1 M hydrochloric acid, saturated sodium bicarbonate solution and saturated sodium chloride solution. The organic layer was dried over anhydrous magnesium sulfate and filtered, and the filtrate was concentrated. The crude product obtained was purified by silica gel column chromatography to obtain the target compound p-hydroxyphenylheptanone. The spectral data of all the products were in agreement with those reported in the literature. | | References | [1] Tetrahedron, 2011, vol. 67, # 3, p. 641 - 649
[2] Tetrahedron, 1981, vol. 37, # 16, p. 2815 - 2821
[3] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 6, p. 841 - 844
[4] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 17, p. 4519 - 4522
[5] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 18, p. 2525 - 2528 |
| | 4-Hydroxyheptanophenone Preparation Products And Raw materials |
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