| Identification | More | [Name]
4-Hydroxyheptanophenone | [CAS]
14392-72-4 | [Synonyms]
4'-HYDROXYHEPTANOPHENONE
4'-HYDROXY-N-HEPTANOPHENONE
4-HYDROXYPHENYL HEXYL KETONE
HEXYL 4-HYDROXYPHENYL KETONE
p-Hydroxyheptanophenone
4''-HYDROXY-N-HEPTANOPHENONE 98+%
1-(4-hydroxyphenyl)heptan-1-one
4-Heptanoylphenol
1-(4-Hydroxyphenyl)-1-heptanone | [Molecular Formula]
C13H18O2 | [MDL Number]
MFCD00191523 | [Molecular Weight]
206.28 | [MOL File]
14392-72-4.mol |
| Chemical Properties | Back Directory | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN 3077 9 / PGIII | [WGK Germany ]
3 | [HS Code ]
2914.50.3000 |
| Hazard Information | Back Directory | [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 |
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