- Rubiadin
- Rubiadin 1-methyl ether
- Rubiadin-primveroside
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Cas Database |
| Name |
Rubiadin |
EINECS | N/A |
| CAS No. | 117-02-2 | Density | 1.476 g/cm3 |
| PSA | 74.60000 | LogP | 2.18160 |
| Solubility | N/A | Melting Point |
290℃ |
| Formula | C15H10O4 | Boiling Point | 527.1 °C at 760 mmHg |
| Molecular Weight | 254.242 | Flash Point | 286.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
Anthraquinone,1,3-dihydroxy-2-methyl- (7CI,8CI);Rubiadin (6CI);1,3-Dihydroxy-2-methylanthraquinone;C.I. 75350;Rubiadine; |
Article Data | 21 |
Rubiadin Synthetic route
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride; sodium chloride at 165 - 175℃; for 1h; Friedel-Crafts Acylation; | 65% |
| With aluminum (III) chloride; sodium chloride at 130 - 170℃; for 0.75h; | 64% |
| With aluminum (III) chloride; sodium chloride at 165 - 170℃; for 0.75h; Friedel-Crafts Acylation; | 40% |
| With aluminum (III) chloride; sodium chloride | |
| With aluminum (III) chloride Microwave irradiation; |
- 22170-88-3
1,3-dimethoxy-2-methylanthraquinone
- 117-02-2
rubiadin
| Conditions | Yield |
|---|---|
| With hydrogen bromide; acetic acid |
- 22170-89-4
1-hydroxy-3-methoxy-2-methyl-9,10-anthraquinone
- 117-02-2
rubiadin
| Conditions | Yield |
|---|---|
| With aluminium trichloride at 200℃; durch langsames Erhitzen; | |
| With hydrogen bromide; acetic acid |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 150℃; durch kurzes Erhitzen (10 min); |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 120℃; | |
| With sulfuric acid at 110 - 120℃; |
- 1010-60-2
2-chloro-1,4-naphthoquinone
- 122305-38-8
(Z)-1-Ethoxy-2-methyl-1,3-bis-trimethylsilanyloxy-buta-1,3-diene
- 117-02-2
rubiadin
| Conditions | Yield |
|---|---|
| With hydrogenchloride 1.) benzene, r.t., 20-72 h; 2.) THF, r.t., 1-3 h; 3.) reflux, 1-5 h; Multistep reaction; |
- 117-02-2
rubiadin
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 140 - 150℃; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 2: aluminium chloride; carbon disulfide 3: fuming sulfuric acid 4: AlCl3 / 200 °C / durch langsames Erhitzen View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: aluminium chloride; carbon disulfide 2: fuming sulfuric acid 3: AlCl3 / 200 °C / durch langsames Erhitzen View Scheme |
Rubiadin Specification
The 9,10-Anthracenedione,1,3-dihydroxy-2-methyl- is an organic compound with the formula C15H10O4. The IUPAC name of this chemical is 1,3-dihydroxy-2-methylanthracene-9,10-dione. With the CAS registry number 117-02-2, it is also named as 1,3-Dihydroxy-2-methyl-9,10-anthracenedione. The product's categories are Anthraquinones, Hydroquinones and Quinones.
Physical properties about 9,10-Anthracenedione,1,3-dihydroxy-2-methyl- are: (1)ACD/LogP: 4.44; (2)ACD/LogD (pH 5.5): 4.42; (3)ACD/LogD (pH 7.4): 3.91; (4)ACD/BCF (pH 5.5): 1348.54; (5)ACD/BCF (pH 7.4): 416.01; (6)ACD/KOC (pH 5.5): 6005.77; (7)ACD/KOC (pH 7.4): 1852.72; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 52.6 Å2; (12)Index of Refraction: 1.709; (13)Molar Refractivity: 67.25 cm3; (14)Molar Volume: 172.2 cm3; (15)Polarizability: 26.66×10-24cm3; (16)Surface Tension: 73.1 dyne/cm; (17)Density: 1.476 g/cm3; (18)Flash Point: 286.6 °C; (19)Enthalpy of Vaporization: 83.17 kJ/mol; (20)Boiling Point: 527.1 °C at 760 mmHg; (21)Vapour Pressure: 1E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)c3c2cc(O)c(c3O)C
(2)InChI: InChI=1/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3
(3)InChIKey: IRZTUXPRIUZXMP-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3
(5)Std. InChIKey: IRZTUXPRIUZXMP-UHFFFAOYSA-N
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