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CAS No.: | 484-29-7 |
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Name: | DICTAMNINE |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C12H9NO2 |
Molecular Weight: | 199.209 |
Synonyms: | Dictamnine(6CI,7CI);4-Methoxyfuro[2,3-b]quinoline; |
Density: | 1.263 g/cm3 |
Melting Point: | 133.5 °C |
Boiling Point: | 343.242 °C at 760 mmHg |
Flash Point: | 161.387 °C |
PSA: | 35.26000 |
LogP: | 2.98960 |
The IUPAC name of Furo[2,3-β]quinoline,4-methoxy- is 4-methoxyfuro[2,3-b]quinoline. With the CAS registry number 484-29-7, it is also named as Dictamnine. The product's category is Miscellaneous Natural Products. In addition, its molecular formula is C12H9NO2 and its molecular weight is 199.20.
The other characteristics of Furo[2,3-β]quinoline,4-methoxy- can be summarized as: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.085; (4)ACD/LogD (pH 7.4): 2.538; (5)ACD/BCF (pH 5.5): 1.552; (6)ACD/BCF (pH 7.4): 44.042; (7)ACD/KOC (pH 5.5): 15.858; (8)ACD/KOC (pH 7.4): 449.899; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.26 Å2; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 59.007 cm3; (15)Molar Volume: 157.686 cm3; (16)Polarizability: 23.392×10-24cm3; (17)Surface Tension: 50.204 dyne/cm; (18)Density: 1.263 g/cm3; (19)Flash Point: 161.387 °C; (20)Melting Point: 133.5 °C; (21)Enthalpy of Vaporization: 56.386 kJ/mol; (22)Boiling Point: 343.242 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.
Production of this product: it can be produced by 2-(Trimethylsilyl)dictamnin.
The reaction needs Bu4NF.3H2O and CH2Cl2 for 6 hours at the temperature of 20 °C. The yield is 95 %.
Uses of this chemical: it can be used to produce 9H-Furo[2,3-β]quinolin-4-one.
The reaction needs aq, HBr and Acetic acid by heating for 8 hours. The yield is 91 %.
People can use the following data to convert to the molecule structure.
(1)SMILES: COc1c2ccccc2nc3c1cco3
(2)InChI: InChI=1/C12H9NO2/c1-14-11-8-4-2-3-5-10(8)13-12-9(11)6-7-15-12/h2-7H,1H3
(3)InChIKey: WIONIXOBNMDJFJ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H9NO2/c1-14-11-8-4-2-3-5-10(8)13-12-9(11)6-7-15-12/h2-7H,1H3
(5)Std. InChIKey: WIONIXOBNMDJFJ-UHFFFAOYSA-N