4,7-Dimethylindene supplier

Name
4,7-DIMETHYL-1H-INDENE
EINECS 230-228-8
CAS No. 6974-97-6
Article Data14
CAS DataBase
Density 0.998 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂
Boiling Point 230.3 °C at 760 mmHg
Molecular Weight 144.216
Flash Point 87 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indene,4,7-dimethyl- (7CI,8CI);4,7-Dimethylindene;NSC 22051;
PSA 0.00000
LogP 2.87270

Synthetic route

: 542-92-7
cyclopenta-1,3-diene

: 110-13-4
2,5-hexanedione

: 6974-97-6
4,7-dimethyl-1H-indene

Conditions

Conditions	Yield
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; water	48.8 g (56 %)

: 70839-99-5
4,7-dimethylindan-1-ol

: 6974-97-6
4,7-dimethyl-1H-indene

Conditions

Conditions	Yield
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

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

...Expand

: 5037-60-5
4,7-dimethyl-indan-1-one

: 6974-97-6
4,7-dimethyl-1H-indene

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With sodium In methanol; diethyl ether

...Expand

: 104-15-4
toluene-4-sulfonic acid

: 6974-97-6
4,7-dimethyl-1H-indene

Conditions

Conditions	Yield
With sodium hydrogencarbonate In benzene

: 75-77-4
chloro-trimethyl-silane

: 6974-97-6
4,7-dimethyl-1H-indene

: 42466-60-4
C6H2(CH3)2C3H3Si(CH3)3

Conditions

Conditions	Yield
Stage #1: 4,7-dimethyl-1H-indene With n-butyllithium In diethyl ether at 25℃; Stage #2: chloro-trimethyl-silane In diethyl ether at 25℃; for 8h; Further stages.;	97%

: 6974-97-6
4,7-dimethyl-1H-indene

: 145838-86-4
bis(methoxycarbonyl)(phenyliodinio)methanide

: (1aS,6aS)-dimethyl 2,5-dimethyl-6,6a-dihydrocyclopropa[a]indene-1,1(1aH)-dicarboxylate

Conditions

Conditions	Yield
With tetrakis(actonitrile)copper(I) hexafluorophosphate; (4S,4's)-2,2'-(1,3-bis(4-(tert-butyl)phenyl)propane-2,2-diyl)bis(4-phenyl-4,5-dihydro-oxazole) In toluene at -40℃; for 110h; Molecular sieve; Inert atmosphere;	94%

: 6974-97-6
4,7-dimethyl-1H-indene

: 75476-82-3
5,8-dimethylisoquinoline

Conditions

Conditions	Yield
Stage #1: 4,7-dimethyl-1H-indene With ozone In methanol at -78℃; for 2h; Stage #2: With dimethylsulfide; sodium hydrogencarbonate at 20℃; for 4h; Stage #3: With ammonia In water at 20℃; for 17h;	92%
Stage #1: 4,7-dimethyl-1H-indene With sodium periodate; osmium(VIII) oxide In tetrahydrofuran; water at 20℃; for 3h; Stage #2: With ammonium hydroxide In tetrahydrofuran; water at 20℃; for 16h;	39%
Yield given. Multistep reaction;

: 6974-97-6
4,7-dimethyl-1H-indene

: (4,7-dimethylindenyl)lithium

Conditions

Conditions	Yield
With n-butyllithium In hexane at 20℃; for 17h;	90.4%

: 6974-97-6
4,7-dimethyl-1H-indene

: 1079-66-9
chloro-diphenylphosphine

: (4,7-dimethyl-1H-inden-3-yl)diphenylphosphine

Conditions

Conditions	Yield
Stage #1: 4,7-dimethyl-1H-indene With n-butyllithium In diethyl ether at -78 - 20℃; Stage #2: chloro-diphenylphosphine In diethyl ether at -78 - 20℃;	90%
Stage #1: 4,7-dimethyl-1H-indene With n-butyllithium In diethyl ether at -78 - 20℃; for 24h; Schlenk technique; Inert atmosphere; Stage #2: chloro-diphenylphosphine In diethyl ether at -78 - 20℃; for 24h; Schlenk technique; Inert atmosphere;

: 6974-97-6
4,7-dimethyl-1H-indene

: 243647-64-5
2-bromo-4,7-dimethylindan-1-ol

Conditions

Conditions	Yield
With N-Bromosuccinimide; water In dimethyl sulfoxide at 22℃; for 12h; Addition;	85%
With N-Bromosuccinimide In water; dimethyl sulfoxide	70%

: 6974-97-6
4,7-dimethyl-1H-indene

: 278169-72-5
(R)-phenyl-1,2-bis(methanesulfonyloxy)ethane

: (2S)-2-phenyl-spiro(cyclopropane-1,1'-(4,7-dimethyl)indene)

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran at 20℃;	83%

: 126821-58-7
chloro(pentamethylcyclopentadienyl)ruthenium(II) tetramer

: 6974-97-6
4,7-dimethyl-1H-indene

: 455260-12-5
(η5-4,7-dimethylindenyl)(η5-pentamethylcyclopentadienyl)ruthenium(II)

Conditions

Conditions	Yield
With CH3Li In tetrahydrofuran C9H6(CH3)2 metallated with methyl lithium in anhydr. THF, followed by treatment with pentamethylcyclopentadienylruthenium chloride;	83%

: 109-65-9
1-bromo-butane

: 6974-97-6
4,7-dimethyl-1H-indene

: 3-butyl-4,7-dimethyl-1H-indene

Conditions

Conditions	Yield
Stage #1: 4,7-dimethyl-1H-indene With n-butyllithium at 20℃; Stage #2: 1-bromo-butane In tetrahydrofuran at 20℃; for 12h;	81%

: 6773-29-1
dimethyl diazomalonate

: 6974-97-6
4,7-dimethyl-1H-indene

: (1aS,6aS)-dimethyl 2,5-dimethyl-6,6a-dihydrocyclopropa[a]indene-1,1(1aH)-dicarboxylate

Conditions

Conditions	Yield
With tetrakis(actonitrile)copper(I) hexafluorophosphate; (S)-2-(1,3-bis(4-tert-butylphenyl)-2-((S)-4,5-dihydro-4-isopropyloxazol-2-yl)propan-2-yl)-4,5-dihydro-4-isopropyloxazole In toluene at 40℃; Inert atmosphere; Schlenk technique; Molecular sieve; enantioselective reaction;	77%

: 6974-97-6
4,7-dimethyl-1H-indene

: iron(II) chloride

: 861907-10-0
bis(4,7-dimethylindenyl)iron(II)

Conditions

Conditions	Yield
With n-BuLi In tetrahydrofuran (N2); Schlenk technique; soln. of n-BuLi was added to soln. of Me2-indene in THF at -80°C; warmed to ambient temp.; stirred for 4 h; FeCl2 was added; mixt. was stirred for 16 h; solvent removed (vac.); residue dissolved in Et2O; filtered through Celite; solvent removed (vac.); elem. anal.;	75%

: 6974-97-6
4,7-dimethyl-1H-indene

: 917-54-4
methyllithium

: 10026-11-6
zirconium(IV) chloride

: (4,7-dimethylindene)2ZrMe2

Conditions

Conditions	Yield
In diethyl ether; pentane MeLi in Et2O was added with stirring at room temp. to soln. of ligand inEt2O for 5 min, stirred for 1 h at room temp., ZrCl4 in pentane was add ed, stirred for 2 h at room temp. under N2; brought to dryness under reduced pressure, taken up in toluene, filtered, evapd. to dryness under reduced pressure; elem. anal.;	74%

...Expand

: 6974-97-6
4,7-dimethyl-1H-indene

: 107-05-1
3-chloroprop-1-ene

: 3-allyl-4,7-dimethyl-1H-indene

Conditions

Conditions	Yield
In tetrahydrofuran at 48℃; for 20h; alkenylation;	70%

: 6974-97-6
4,7-dimethyl-1H-indene

: 37803-02-4
(S)-2,2'-bis(bromomethyl)-1,1'-binaphthyl

: 2,2'-Bis-(4,7-dimethyl-3H-inden-1-ylmethyl)-[1,1']binaphthalenyl

Conditions

Conditions	Yield
With butyllithium In tetrahydrofuran 0 deg C to RT; RT, 3 h;	69%

: 6974-97-6
4,7-dimethyl-1H-indene

: 100-39-0
benzyl bromide

: C18H18

Conditions

Conditions	Yield
Stage #1: 4,7-dimethyl-1H-indene With n-butyllithium In diethyl ether; hexane Cooling; Schlenk technique; Stage #2: benzyl bromide In diethyl ether; hexane at 20℃; for 96h; Schlenk technique;	66.2%

: 6974-97-6
4,7-dimethyl-1H-indene

: 154283-78-0
chloro(9H-fluoren-9-yl)dimethylsilane

: (9-fluorenyl)-(4,7-dimethyl-1-indenyl)dimethylsilane

Conditions

Conditions	Yield
Stage #1: 4,7-dimethyl-1H-indene With n-butyllithium In diethyl ether; hexane Stage #2: chloro(9H-fluoren-9-yl)dimethylsilane In tetrahydrofuran; diethyl ether; hexane at 20℃;	63%

: 15243-33-1
dodecacarbonyl-triangulo-triruthenium

: 6974-97-6
4,7-dimethyl-1H-indene

: 1179525-95-1
[Ru2(carbonyl)2(μ-carbonyl)2(η5-4,7-pentamethylindene(-H))2]

Conditions

Conditions	Yield
In toluene (inert atm.); refluxing soln. of ruthenium compd. and indene deriv. in toluene for 6.5 h; evapn., chromy. (alumina), elem. anal.;	56%

: 6974-97-6
4,7-dimethyl-1H-indene

: 118753-70-1
N-(tert-butyloxycarbonyl)bis(2-chloroethyl)amine

: tert-butyl 4,7-dimethylspiro[indene-1,4'-piperidine]-1'-carboxylate

Conditions

Conditions	Yield
Stage #1: 4,7-dimethyl-1H-indene With lithium hexamethyldisilazane In tetrahydrofuran at 0 - 20℃; for 0.75h; Stage #2: N-(tert-butyloxycarbonyl)bis(2-chloroethyl)amine In tetrahydrofuran at 0℃; for 2h;	51%

: 6974-97-6
4,7-dimethyl-1H-indene

: 98-88-4
benzoyl chloride

: 73183-34-3
bis(pinacol)diborane

: ((1S,2S)-4,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-yl)(phenyl)methanone

Conditions

Conditions	Yield
Stage #1: 4,7-dimethyl-1H-indene; bis(pinacol)diborane With C30H25ClCuN3; lithium tert-butoxide In diethyl ether for 0.166667h; Inert atmosphere; Glovebox; Sealed tube; Stage #2: benzoyl chloride In diethyl ether at 20℃; for 0.5h; Inert atmosphere; Sealed tube; enantioselective reaction;	44%

...Expand

: zirconium chloride-tetrahydrofuran

: 6974-97-6
4,7-dimethyl-1H-indene

: (η5-4,7-Me2C9H5)zirconium(IV) dichloride

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; toluene treating the indene in THF with n-C4H9Li in hexanes at -78°C, warming, stirring at room temp. for 1 h, cannulating the indenyllithium soln. into a suspension of ZrCl4*2THF in toluene at 0°C, warming, room temp. for 3 h; ppt., filtration, washing (THF/toluene, 1:2), sublimation (170°C, 5E-5 mmHg);	42%

: 591-50-4
iodobenzene

: 6974-97-6
4,7-dimethyl-1H-indene

: 2-phenyl-4,7-dimethyl-indene

Conditions

Conditions	Yield
With triethylamine; palladium diacetate In diethyl ether; water; pentane	38%

: 6974-97-6
4,7-dimethyl-1H-indene

A: 79376-84-4
(1R,1'S)-4,7,4',7'-Tetramethyl-1H,1'H-[1,1']biindenyl

: 79376-83-3, 79376-84-4, 79500-81-5
(1R,1'R)-4,7,4',7'-Tetramethyl-1H,1'H-[1,1']biindenyl

Conditions

Conditions	Yield
With n-butyllithium; copper dichloride 1.) ether, -30 deg C, 30 min, 2.) ether, -30 deg C, 30 min;	A 10% B 35%

: 6974-97-6
4,7-dimethyl-1H-indene

: 13499-05-3
hafnium tetrachloride

: 104-81-4
4-Methylbenzyl bromide

: 106-93-4
ethylene dibromide

A: C40H40Cl2Hf

B: C40H40Cl2Hf

Conditions

Conditions	Yield
Stage #1: 4,7-dimethyl-1H-indene With n-butyllithium In tetrahydrofuran at -78℃; for 24h; Inert atmosphere; Stage #2: 4-Methylbenzyl bromide In tetrahydrofuran at -78℃; for 24h; Stage #3: hafnium tetrachloride; ethylene dibromide Further stages;	A 27.7% B 27.7%

...Expand

: 6974-97-6
4,7-dimethyl-1H-indene

: 10485-09-3
2-bromoindene

: 75-78-5
dimethylsilicon dichloride

: C22H24Si

Conditions

Conditions	Yield
Stage #1: 4,7-dimethyl-1H-indene With n-butyllithium In tetrahydrofuran; hexane at 20℃; for 2h; Inert atmosphere; Stage #2: dimethylsilicon dichloride In tetrahydrofuran; hexane at -78 - 20℃; for 18h; Stage #3: 2-bromoindene Further stages;	27%

...Expand

: 6974-97-6
4,7-dimethyl-1H-indene

: 10026-11-6
zirconium(IV) chloride

: 104-81-4
4-Methylbenzyl bromide

: 106-93-4
ethylene dibromide

A: C40H40Cl2Zr

B: C40H40Cl2Zr

Conditions

Conditions	Yield
Stage #1: 4,7-dimethyl-1H-indene With n-butyllithium In tetrahydrofuran at -78℃; for 24h; Inert atmosphere; Stage #2: 4-Methylbenzyl bromide In tetrahydrofuran at -78℃; for 24h; Stage #3: zirconium(IV) chloride; ethylene dibromide Further stages;	A 25.4% B 18.5%

...Expand

: 6974-97-6
4,7-dimethyl-1H-indene

: 2-(4,7-dimethyl-inden-1-yl)-propan-2-ol

Conditions

Conditions	Yield
With potassium hydroxide; acetone

: 6974-97-6
4,7-dimethyl-1H-indene

: 1-benzylidene-4,7-dimethyl-indene

Conditions

Conditions	Yield
With potassium hydroxide; benzaldehyde

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

Product Name

4,7-DIMETHYL-1H-INDENE

Synthetic route

4,7-Dimethylindene Specification

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