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Cas Database |
| Name |
5,6-Methylenedioxy-1-indanone |
EINECS | N/A |
| CAS No. | 6412-87-9 | Density | 1.395 g/cm3 |
| PSA | 35.53000 | LogP | 1.54420 |
| Solubility | N/A | Melting Point |
162-166 °C |
| Formula | C10H8O3 | Boiling Point | 344.9 °C at 760 mmHg |
| Molecular Weight | 176.172 | Flash Point | 153.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
5,6-Methylenedioxy-1-indanone;6,7-Dihydroindeno[5,6-d][1,3]dioxol-5-one;NSC 65075; |
Article Data | 13 |
5,6-Methylenedioxy-1-indanone Synthetic route
- 68996-81-6
3-benzo[1,3]dioxol-5-yl-propionyl chloride
- 6412-87-9
5,6-methylenedioxy-1-indanone
| Conditions | Yield |
|---|---|
| With tin(IV) chloride Friedel-Crafts acylation; | 95% |
| With tin(IV) chloride In dichloromethane 1.) 0 deg C, 10 min, 2.) 0.5 h; | 84% |
| bei der Destillation unter vermindertem Druck; | |
| With aluminum (III) chloride In dichloromethane at 20℃; for 2h; |
| Conditions | Yield |
|---|---|
| With acetic acid; L-proline at 120℃; for 24h; Green chemistry; | 81% |
| With ethanol; nickel |
- 937792-71-7
tert-butyl((6-ethynylbenzo[d][1,3]dioxol-5-yl)methoxy)dimethylsilane
B
- 6412-87-9
5,6-methylenedioxy-1-indanone
| Conditions | Yield |
|---|---|
| TpRuPPh3(MeCN)2SbF6 In toluene at 105℃; for 48h; | A 8% B 61% |
| TpRuPPh3(MeCN)2SbF6 In toluene at 105℃; for 48h; | A 31% B 39% |
- 6412-87-9
5,6-methylenedioxy-1-indanone
| Conditions | Yield |
|---|---|
| TpRuPPh3(MeCN)2SbF6 In toluene at 105℃; for 24h; | 53% |
- 6412-87-9
5,6-methylenedioxy-1-indanone
| Conditions | Yield |
|---|---|
| With pyridine; tetrabutyl-ammonium chloride; tri tert-butylphosphoniumtetrafluoroborate; trans-di(μ-acetato)bis[o-(di-o-tolylphosphino)benzyl]dipalladium(II) In 1,4-dioxane at 170℃; for 0.5h; microwave irradiation; | 26% |
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride; benzene anschliessendes Behandeln mit Zinn(IV)-chlorid; | |
| Multi-step reaction with 2 steps 1: thionyl chloride / benzene / 3 h / Heating 2: 84 percent / SnCl4 / CH2Cl2 / 1.) 0 deg C, 10 min, 2.) 0.5 h View Scheme | |
| Multi-step reaction with 2 steps 1: phosphorus trichloride 2: bei der Destillation unter vermindertem Druck View Scheme | |
| Multi-step reaction with 2 steps 1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 20 °C 2: aluminum (III) chloride / dichloromethane / 2 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: oxalyl dichloride / dichloromethane 2: tin(IV) chloride View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Raney nickel; dioxane / 80 °C / Hydrogenation 2: benzene; phosphorus (V)-chloride / anschliessendes Behandeln mit Zinn(IV)-chlorid View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: piperidine; pyridine 2: 10% palladium on activated charcoal; hydrogen 3: oxalyl dichloride / dichloromethane 4: tin(IV) chloride View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 10% palladium on activated charcoal; hydrogen 2: oxalyl dichloride / dichloromethane 3: tin(IV) chloride View Scheme |
- 6412-87-9
5,6-methylenedioxy-1-indanone
| Conditions | Yield |
|---|---|
| With titanium tetrachloride In toluene at -10 - 20℃; for 73h; Inert atmosphere; | 100% |
| With titanium tetrachloride In toluene at -10 - 20℃; Inert atmosphere; | 99% |
5,6-Methylenedioxy-1-indanone Specification
The 5H-Indeno[5,6-d]-1,3-dioxol-5-one,6,7-dihydro-, with the CAS registry number 6412-87-9, is also known as 2H-Indano[5,6-d]1,3-dioxolen-5-one. This chemical's molecular formula is C10H8O3 and molecular weight is 176.17. Its systematic name is called 6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-5-one. When you are using this chemical, please be cautious about it, it may cause damage to health. Harmful if swallowed.
Physical properties of 5H-Indeno[5,6-d]-1,3-dioxol-5-one,6,7-dihydro-: (1)ACD/LogP: 1.96; (2)#H bond acceptors: 3; (3)Index of Refraction: 1.626; (4)Molar Refractivity: 44.71 cm3; (5)Molar Volume: 126.1 cm3; (6)Surface Tension: 56 dyne/cm; (7)Density: 1.395 g/cm3; (8)Flash Point: 153.6 °C; (9)Enthalpy of Vaporization: 58.89 kJ/mol; (10)Boiling Point: 344.9 °C at 760 mmHg; (11)Vapour Pressure: 6.38E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C3c2c(cc1OCOc1c2)CC3
(2)InChI: InChI=1/C10H8O3/c11-8-2-1-6-3-9-10(4-7(6)8)13-5-12-9/h3-4H,1-2,5H2
(3)InChIKey: LKLNTTMWFRNYLE-UHFFFAOYAO
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