Name: 5 6-METHYLENEDIOXY-1-INDANONE 97
SKU: 6412-87-9

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Basic Information

Molecular Structure:
CAS No.:	6412-87-9
Name:	5 6-METHYLENEDIOXY-1-INDANONE 97
Article Data:	13

Formula:	C₁₀H₈O₃
Molecular Weight:	176.172
Synonyms:	5,6-Methylenedioxy-1-indanone;6,7-Dihydroindeno[5,6-d][1,3]dioxol-5-one;NSC 65075;
Density:	1.395 g/cm³
Melting Point:	162-166 °C
Boiling Point:	344.9 °C at 760 mmHg
Flash Point:	153.6 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	35.53000
LogP:	1.54420

Synthetic route

: 68996-81-6
3-benzo[1,3]dioxol-5-yl-propionyl chloride

: 6412-87-9
5,6-methylenedioxy-1-indanone

Conditions

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;

: 3811-52-7
2-ethenyl-4,5-(methylenedioxy)benzaldehyde

: 6412-87-9
5,6-methylenedioxy-1-indanone

Conditions

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

A: tert-butyl-(5H-indeno[5,6-d][1,3]dioxol-5-yloxy)dimethylsilane

B: 6412-87-9
5,6-methylenedioxy-1-indanone

Conditions

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%

: tert-butyl-(5H-indeno[5,6-d][1,3]dioxol-5-yloxy)dimethylsilane

: 6412-87-9
5,6-methylenedioxy-1-indanone

Conditions

Conditions	Yield
TpRuPPh3(MeCN)2SbF6 In toluene at 105℃; for 24h;	53%

: 5-chloro-6-vinylbenzo[1,3]dioxole

molybdenum hexacarbonyl: molybdenum hexacarbonyl

: 6412-87-9
5,6-methylenedioxy-1-indanone

Conditions

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%

: 2815-95-4
3-(1,3 benzodioxol-5-yl)propionic acid

: 6412-87-9
5,6-methylenedioxy-1-indanone

Conditions

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

: 2373-80-0
3,4-methylenedioxy-trans-cinnamic acid

: 6412-87-9
5,6-methylenedioxy-1-indanone

Conditions

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

: 120-57-0
piperonal

: 6412-87-9
5,6-methylenedioxy-1-indanone

Conditions

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

: 2373-80-0
3,4-(methylenedioxy)cinnamic acid

: 6412-87-9
5,6-methylenedioxy-1-indanone

Conditions

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

piperidine: piperidine

: 6412-87-9
5,6-methylenedioxy-1-indanone

: 1-(5,6-methylenedioxy-1H-inden-3-yl)piperidine

Conditions

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%

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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