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| CAS No.: | 35212-22-7 |
|---|---|
| Name: | Ipriflavone |
| Article Data: | 12 |
| Molecular Structure: | |
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|
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| Formula: | C18H16O3 |
| Molecular Weight: | 280.323 |
| Synonyms: | 7-Isopropoxyisoflavone;TC 80;3-phenyl-7-propan-2-yloxy-chromen-4-one;Yambolap;4H-1-Benzopyran-4-one,7-(1-methylethoxy)- 3-phenyl-;Osten (TN);Osten;FL 113;Ipriflavone (7-Isopropoxyisoflavone); |
| EINECS: | 201-641-0 |
| Density: | 1.184 g/cm3 |
| Melting Point: | 116-120 °C(lit.) |
| Boiling Point: | 435.9 °C at 760 mmHg |
| Flash Point: | 209.3 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25-36/37/39-27-26 |
| PSA: | 39.44000 |
| LogP: | 4.24720 |
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Specification
The Ipriflavone, with CAS registry number of 35212-22-7, is also known as 7-(1-Methylethoxy)-3-phenyl-4H-1-benzopyron-4-one. It belongs to categories of Fine Chemical & Intermediates; Iso-Flavones; APIs; Biochemistry; Flavonoids; Nutraceuticals; Food & Flavor Additives. Its IUPAC name is 3-phenyl-7-propan-2-yloxychromen-4-one.
Physical properties about this chemical are: (1) ACD/LogP: 4.37; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.37; (4) ACD/LogD (pH 7.4): 4.37; (5) ACD/BCF (pH 5.5): 1230.08; (6) ACD/BCF (pH 7.4): 1230.08; (7) ACD/KOC (pH 5.5): 5667.27; (8) ACD/KOC (pH 7.4): 5667.27; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 35.53 Å2; (13) Index of Refraction: 1.592; (14) Molar Refractivity: 80.1 cm3; (15) Molar Volume: 236.6 cm3; (16) Surface Tension: 44.8 dyne/cm; (17) Density: 1.184 g/cm3; (18) Flash Point: 209.3 °C; (19) Enthalpy of Vaporization: 69.22 kJ/mol; (20) Boiling Point: 435.9 °C at 760 mmHg; (21) Vapour Pressure: 8.47E-08 mmHg at 25°C.
Preparation of Ipriflavone: it is prepared by reaction of 7-hydroxy-3-phenyl-chromen-4-one with 2-iodo-propane. The reaction needs reagent potassium carbonate and solvent Acetone at the temperature of 56 ℃. The yield is about 96%.
Uses of Ipriflavone: it is used as a drug to prevent osteoporosis in postmenopausal women by inhibiting bone resorption and maintaining bone density. It is also used to produce other chemicals. For example, it can produce 1-(2-hydroxy-4-isopropoxy-phenyl)-2-phenyl-ethanone. The reaction occurs with reagent NaOH (1M) and other condition of heating for 3 hours. The yield is 95%.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. Avoid contact with skin and eyes. After using it, take off immediately all contaminated clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES:O=C\1c3c(O/C=C/1c2ccccc2)cc(OC(C)C)cc3 ;
(2) InChI:InChI=1/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3 ;
(3) InChIKey:SFBODOKJTYAUCM-UHFFFAOYAK
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | > 10gm/kg (10000mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 20, Pg. 228, 1989. | |
| mouse | LD50 | oral | 3185mg/kg (3185mg/kg) | Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(9), Pg. 38, 1990. | |
| mouse | LD50 | subcutaneous | > 2500mg/kg (2500mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 20, Pg. 228, 1989. | |
| rat | LD50 | intraperitoneal | > 10gm/kg (10000mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 20, Pg. 228, 1989. | |
| rat | LD50 | oral | > 2500mg/kg (2500mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 20, Pg. 228, 1989. | |
| rat | LD50 | subcutaneous | > 2500mg/kg (2500mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 20, Pg. 228, 1989. |