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4,7-Dimethylindene
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Name

4,7-Dimethylindene

 EINECS 230-228-8
CAS No. 6974-97-6 Density 0.998 g/cm3
PSA 0.00000 LogP 2.87270
Solubility N/A Melting Point N/A
Formula C11H12 Boiling Point 230.3 °C at 760 mmHg
Molecular Weight 144.216 Flash Point 87 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6974-97-6 (4,7-DIMETHYL-1H-INDENE) Hazard Symbols N/A
Synonyms

Indene,4,7-dimethyl- (7CI,8CI);4,7-Dimethylindene;NSC 22051;

Article Data 14

4,7-Dimethylindene Synthetic route

542-92-7

cyclopenta-1,3-diene

110-13-4

2,5-hexanedione

6974-97-6

4,7-dimethyl-1H-indene

Conditions
ConditionsYield
With sodium In methanol for 24h; Inert atmosphere;87%
With sodium In methanol for 2h; Ambient temperature;84%
Stage #1: cyclopenta-1,3-diene With sodium methylate In methanol at 0℃; for 2.33333h; Inert atmosphere;
Stage #2: 2,5-hexanedione In methanol at 20℃;		71%
With potassium tert-butylate In methanol for 24h; Ambient temperature;67%
With sodium In methanol; diethyl ether; water48.8 g (56 %)
70839-99-5

4,7-dimethylindan-1-ol

6974-97-6

4,7-dimethyl-1H-indene

Conditions
ConditionsYield
With toluene-4-sulfonic acid In benzene for 0.5h; Reflux;78%
With toluene-4-sulfonic acid In benzene for 0.25h; Heating;74%
With toluene-4-sulfonic acid In toluene at 45℃; for 10h; Inert atmosphere; Molecular sieve;74.7%
542-92-7

cyclopenta-1,3-diene

110-13-4

2,5-hexanedione

A

6974-97-6

4,7-dimethyl-1H-indene

B

5-Cyclopenta-2,4-dienylidene-hexan-2-one

Conditions
ConditionsYield
With potassium tert-butylate In methanol Product distribution; Ambient temperature; various diones, effect of reaction time;
5037-60-5

4,7-dimethyl-indan-1-one

6974-97-6

4,7-dimethyl-1H-indene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 91 percent / LiAlH4 / tetrahydrofuran / 4 h / Heating
2: 74 percent / p-toluenesulfonic acid / benzene / 0.25 h / Heating
View Scheme
Multi-step reaction with 2 steps
1: LiAlH4
View Scheme
Multi-step reaction with 2 steps
1: (reduction)
2: TsOH / benzene / Heating
View Scheme
Multi-step reaction with 2 steps
1: LiAlH4 / diethyl ether
2: oxalic acid / H2O / Heating
View Scheme
Multi-step reaction with 2 steps
1: sodium tetrahydroborate / methanol; tetrahydrofuran / 18 h / 5 - 20 °C / Inert atmosphere
2: toluene-4-sulfonic acid / toluene / 10 h / 45 °C / Inert atmosphere; Molecular sieve
View Scheme
106-42-3

para-xylene

6974-97-6

4,7-dimethyl-1H-indene

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 47 percent / 1.) anhydrous AlCl3; 2.) conc. H2SO4 / 1.) CS2, 3 h; 2.) 40 min, 100 deg C
2: 91 percent / LiAlH4 / tetrahydrofuran / 4 h / Heating
3: 74 percent / p-toluenesulfonic acid / benzene / 0.25 h / Heating
View Scheme
Multi-step reaction with 3 steps
1.1: aluminum (III) chloride; sodium hydroxide / dichloromethane / 3.5 h / 10 °C / Inert atmosphere; Cooling with ice
1.2: 2.5 h / 65 °C
2.1: sodium tetrahydroborate / methanol; tetrahydrofuran / 18 h / 5 - 20 °C / Inert atmosphere
3.1: toluene-4-sulfonic acid / toluene / 10 h / 45 °C / Inert atmosphere; Molecular sieve
View Scheme
25173-75-5

3-(2,5-dimethylphenyl)propanoic acid

6974-97-6

4,7-dimethyl-1H-indene

Conditions
ConditionsYield
Multi-step reaction with 3 steps
2: (reduction)
3: TsOH / benzene / Heating
View Scheme
106-42-3

para-xylene

platinum

platinum

6974-97-6

4,7-dimethyl-1H-indene

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: AlCl3 / CS2
2: H2SO4
3: LiAlH4 / diethyl ether
4: oxalic acid / H2O / Heating
View Scheme
22422-19-1

3-chloro-1-(2,5-dimethylphenyl)propan-1-one

6974-97-6

4,7-dimethyl-1H-indene

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: H2SO4
2: LiAlH4 / diethyl ether
3: oxalic acid / H2O / Heating
View Scheme
7732-18-5

water

542-92-7

cyclopenta-1,3-diene

110-13-4

2,5-hexanedione

6974-97-6

4,7-dimethyl-1H-indene

Conditions
ConditionsYield
With sodium In methanol; diethyl ether
104-15-4

toluene-4-sulfonic acid

6974-97-6

4,7-dimethyl-1H-indene

Conditions
ConditionsYield
With sodium hydrogencarbonate In benzene

4,7-Dimethylindene Specification

The CAS register number of 4,7-Dimethyl-1H-indene is 6974-97-6. It also can be called as 1H-Indene,4,7-dimethyl- and the IUPAC name about this chemical is 4,7-dimethyl-1H-indene. The molecular formula about this chemical is C11H12 and the molecular weight is 144.21. It belongs to the Indanone & Indene.

Physical properties about 4,7-Dimethyl-1H-indene are: (1)ACD/LogP: 3.83; (2)ACD/LogD (pH 5.5): 3.83; (3)ACD/LogD (pH 7.4): 3.83; (4)ACD/BCF (pH 5.5): 477.07; (5)ACD/BCF (pH 7.4): 477.07; (6)ACD/KOC (pH 5.5): 2876.95; (7)ACD/KOC (pH 7.4): 2876.95; (8)Index of Refraction: 1.574; (9)Molar Refractivity: 47.68 cm3; (10)Molar Volume: 144.3 cm3; (11)Polarizability: 18.9x10-24cm3; (12)Surface Tension: 38.7 dyne/cm; (13)Flash Point: 87 °C; (14)Enthalpy of Vaporization: 44.8 kJ/mol; (15)Boiling Point: 230.3 °C at 760 mmHg; (16)Vapour Pressure: 0.1 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(ccc(c2c1\C=C/C2)C)C
(2)InChI: InChI=1/C11H12/c1-8-6-7-9(2)11-5-3-4-10(8)11/h3-4,6-7H,5H2,1-2H3
(3)InChIKey: DKLQZDIAQKGVTA-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C11H12/c1-8-6-7-9(2)11-5-3-4-10(8)11/h3-4,6-7H,5H2,1-2H3
(5)Std. InChIKey: DKLQZDIAQKGVTA-UHFFFAOYSA-N

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