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Cas Database |
| Name |
16,17-Dihydroxyviolanthrene-5,10-dione |
EINECS | 204-897-1 |
| CAS No. | 128-59-6 | Density | 1.608 g/cm3 |
| PSA | 74.60000 | LogP | 7.57120 |
| Solubility | N/A | Melting Point |
95 °C |
| Formula | C34H16O4 | Boiling Point | 543.71°C (rough estimate) |
| Molecular Weight | 488.499 | Flash Point | N/A |
| Transport Information | N/A | Appearance | dark green to blue powder |
| Safety | Risk Codes | R22; R41 | |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Violanthrone,16,17-dihydroxy- (7CI,8CI);16,17-Dihydroxydibenzanthrone;16,17-Dihydroxyviolanthrone;NSC 23126;Dihydro-dinaphthol(1,2,3-cd:3',2',1'-im)perylene-5,10-dione;Dihydroxydibenzanthrone;Violanthrone, 16,17-dihydroxy-; |
Article Data | 10 |
16,17-Dihydroxyviolanthrene-5,10-dione Synthetic route
| Conditions | Yield |
|---|---|
| With manganese(IV) oxide; sulfuric acid Verschmelzen des Reaktionsprodukts mit Alkalihydroxyd; |
| Conditions | Yield |
|---|---|
| With manganese(IV) oxide; sulfuric acid |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; zinc anschlissenden Behandeln mit H2S; | |
| With sodium hydroxide; zinc anschlissenden Behandeln mit Luft bei 90grad; | |
| With sodium hydroxide; alkaline aqueous Na2S2O4 anschlissenden Behandeln mit Luft bei 90grad; |
| Conditions | Yield |
|---|---|
| Stage #1: Jade Green XBN In dichloromethane at 20℃; for 1h; Stage #2: With boron tribromide In dichloromethane at 20℃; for 16h; Reflux; Cooling with ice; |
| Conditions | Yield |
|---|---|
| With 18-crown-6 ether; potassium carbonate In N,N-dimethyl-formamide at 80℃; for 5h; Williamson Ether Synthesis; | 74% |
- 111-83-1
1-bromo-octane
- 128-59-6
16,17-dihydroxyviolanthrene-5,10-dione
- 85652-50-2
16,17-bis(octyloxy)-anthra[9,1,2-cde-]benzo[rst]pentaphene-5,10-dione
| Conditions | Yield |
|---|---|
| With 18-crown-6 ether; potassium carbonate In 1-methyl-pyrrolidin-2-one at 100℃; for 8h; Williamson Ether Synthesis; | 72% |
| Stage #1: 16,17-dihydroxyviolanthrene-5,10-dione With potassium carbonate In N,N-dimethyl-formamide at 120℃; Stage #2: 1-bromo-octane In N,N-dimethyl-formamide at 120 - 130℃; for 11h; | 12.5% |
| With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 12h; |
| Conditions | Yield |
|---|---|
| With 18-crown-6 ether; potassium carbonate In dimethyl sulfoxide at 100℃; for 5h; Williamson Ether Synthesis; | 69% |
- 128-59-6
16,17-dihydroxyviolanthrene-5,10-dione
- 98-88-4
benzoyl chloride
- 19339-25-4
Leuco-16,17-dihydroxy-violanthron-tetrabenzoat
| Conditions | Yield |
|---|---|
| With pyridine; zinc |
- 111-25-1
1-bromo-hexane
- 128-59-6
16,17-dihydroxyviolanthrene-5,10-dione
- 25637-03-0
16,17-bis(hexyloxy)-anthra[9,1,2-cde-]benzo[rst]pentaphene-5,10-dione
| Conditions | Yield |
|---|---|
| With potassium carbonate | |
| With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 12h; | |
| With 18-crown-6 ether; potassium carbonate In N,N-dimethyl-formamide at 80℃; for 12h; Williamson Ether Synthesis; |
- 128-59-6
16,17-dihydroxyviolanthrene-5,10-dione
| Conditions | Yield |
|---|---|
| at 150℃; |
16,17-Dihydroxyviolanthrene-5,10-dione Consensus Reports
16,17-Dihydroxyviolanthrene-5,10-dione Specification
The systematic name of 16,17-Dihydroxyviolanthrene-5,10-dione is 16,17-dihydroxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione. With the CAS registry number 128-59-6, it is also named as Violanthrone, 16,17-dihydroxy-. The product's category is Organics. In addition, its molecular formula is C34H16O4 and molecular weight is 488.49.
The other characteristics of 16,17-Dihydroxyviolanthrene-5,10-dione can be summarized as: (1)EINECS: 204-897-1; (2)ACD/LogP: 7.63; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 7.63; (5)ACD/LogD (pH 7.4): 7.55; (6)ACD/BCF (pH 5.5): 371413.84; (7)ACD/BCF (pH 7.4): 310252.25; (8)ACD/KOC (pH 5.5): 337418.34; (9)ACD/KOC (pH 7.4): 281854.88; (10)#H bond acceptors: 4; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 52.6 Å2; (14)Index of Refraction: 1.975; (15)Molar Refractivity: 149.41 cm3; (16)Molar Volume: 303.7 cm3; (17)Polarizability: 59.23×10-24cm3; (18)Surface Tension: 97.9 dyne/cm; (19)Density: 1.608 g/cm3.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C2c9c1c8c(c(O)cc1c3ccccc23)c6c(O)cc5c4ccccc4C(=O)c7c5c6c(cc7)c8cc9
(2)InChI: InChI=1/C34H16O4/c35-25-13-23-15-5-1-3-7-19(15)33(37)21-11-9-17-18-10-12-22-28-24(16-6-2-4-8-20(16)34(22)38)14-26(36)32(30(18)28)31(25)29(17)27(21)23/h1-14,35-36H
(3)InChIKey: MGYICCKROPVHMA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C34H16O4/c35-25-13-23-15-5-1-3-7-19(15)33(37)21-11-9-17-18-10-12-22-28-24(16-6-2-4-8-20(16)34(22)38)14-26(36)32(30(18)28)31(25)29(17)27(21)23/h1-14,35-36H
(5)Std. InChIKey: MGYICCKROPVHMA-UHFFFAOYSA-N
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