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Name |
Methanone,phenyl(2,4,6-trihydroxyphenyl)- |
EINECS | 222-615-5 |
CAS No. | 3555-86-0 | Density | 1.413 g/cm3 |
PSA | 77.76000 | LogP | 2.03440 |
Solubility | 3.1 mg/mL in water at 25 ºC | Melting Point |
170–171°C |
Formula | C13H10O4 | Boiling Point | 406.4 °C at 760 mmHg |
Molecular Weight | 230.22 | Flash Point | 213.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzophenone,2,4,6-trihydroxy- (6CI,7CI,8CI);2,4,6-Trihydroxybenzophenone;Phlorobenzophenone;Phenyl(2,4,6-trihydroxyphenyl)methanone; |
Article Data | 39 |
Conditions | Yield |
---|---|
With boron tribromide In dichloromethane at -78 - 20℃; for 74h; Inert atmosphere; Schlenk technique; | 100% |
With boron tribromide In dichloromethane at -78 - 20℃; for 20h; | 99% |
With boron tribromide In dichloromethane at -78 - 20℃; | 99% |
Conditions | Yield |
---|---|
With aluminum (III) chloride In nitrobenzene at 65℃; for 3h; Inert atmosphere; | 72% |
With aluminum (III) chloride In nitrobenzene at 65℃; Friedel-Crafts Acylation; | 65.8% |
Stage #1: 3,5-dihydroxyphenol With aluminum (III) chloride In carbon disulfide; nitrobenzene at 55℃; for 0.5h; Friedel-Crafts Acylation; Stage #2: benzoyl chloride In carbon disulfide; nitrobenzene for 0.5h; Friedel-Crafts Acylation; Heating; | 54% |
Conditions | Yield |
---|---|
Stage #1: 2,4,6-trimethoxybenzophenone With boron tribromide In dichloromethane at -78 - 20℃; for 48h; Inert atmosphere; Stage #2: With water In dichloromethane at 0 - 20℃; for 1.3h; | A 4% B 52% |
3,5-dihydroxyphenol
1,4-dibenzoyloxybenzene
A
2,5-dihydroxybenzophenone
B
2-benzoylphloroglucinol
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In benzene for 0.5h; cross Fries reaction; microwave irradiation; | A 50% B 40% |
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In benzene for 3h; crossover Friess rearrangement; Heating; | 25% |
2-benzoylphloroglucinol
Conditions | Yield |
---|---|
With hydrogenchloride |
Conditions | Yield |
---|---|
With hydrogenchloride; diethyl ether; zinc(II) chloride Erhitzen des Reaktionsprodukts mit Wasser; | |
With diethyl ether | |
With hydrogenchloride; diethyl ether; zinc(II) chloride Man verwandelt das ausgeschiedene Ketimidhydrochlorid in das Sulfat und kocht dieses mit der 20-fachen Menge Wasser; Ausbeute 65prozent der Theorie; |
7-Phenyl-3,5,7-trioxoheptansaeuremethylester
2-benzoylphloroglucinol
Conditions | Yield |
---|---|
With sodium hydroxide at -5℃; |
4-hydroxy-6-(2-oxo-2-phenylethyl)-2H-pyran-2-one
2-benzoylphloroglucinol
Conditions | Yield |
---|---|
With lithium hydride |
2-benzoylphloroglucinol
Conditions | Yield |
---|---|
With water for 1.5h; Heating; |
The Methanone,phenyl(2,4,6-trihydroxyphenyl)-, with the CAS registry number 3555-86-0, is also known as 2,4,6-trihydroxybenzophenone. It belongs to the product category of Aromatic Benzophenones & Derivatives (substituted). Its EINECS number is 222-615-5. This chemical's molecular formula is C13H10O4 and molecular weight is 230.22. What's more, its systematic name is phenyl(2,4,6-trihydroxyphenyl)methanone.
Physical properties of Methanone,phenyl(2,4,6-trihydroxyphenyl)- are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 259.39; (6)ACD/BCF (pH 7.4): 80.58; (7)ACD/KOC (pH 5.5): 1846.03; (8)ACD/KOC (pH 7.4): 573.46; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 61.69 cm3; (15)Molar Volume: 162.8 cm3; (16)Surface Tension: 70.5 dyne/cm; (17)Density: 1.413 g/cm3; (18)Flash Point: 213.7 °C; (19)Enthalpy of Vaporization: 68.37 kJ/mol; (20)Boiling Point: 406.4 °C at 760 mmHg; (21)Vapour Pressure: 3.48E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by benzene-1,3,5-triol, 1,4-bis-benzoyloxy-benzene by microwave irradiation. This reaction will need reagent BF3-etherate and solvent benzene with the reaction time of 30 min. It's a reaction of cross Fries reaction. The yield is about 40%.
Uses of Methanone,phenyl(2,4,6-trihydroxyphenyl)-: it can be used to produce 1-(3-benzoyl-2,4,6-trihydroxy-phenyl)-ethanone. It will need reagent BF3. The yield is about 76%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(O)cc(O)cc1O)c2ccccc2
(2)InChI: InChI=1S/C13H10O4/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,14-16H
(3)InChIKey: CPEXFJVZFNYXGU-UHFFFAOYSA-N