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Cas Database |
| Name |
7-(4-tert-Butylphenyl)-2-methyl-1H-indene |
EINECS | N/A |
| CAS No. | 245653-52-5 | Density | 1.002 g/cm3 |
| PSA | 0.00000 | LogP | 5.61050 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H22 | Boiling Point | 389.402 °C at 760 mmHg |
| Molecular Weight | 262.395 | Flash Point | 207.262 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
7-(4-tert-Butylphenyl)-2-methyl-1H-indene; |
Article Data | 3 |
7-(4-tert-Butylphenyl)-2-methyl-1H-indene Synthetic route
- 880652-93-7
4(7)-bromo-2-methyl-1(3)H-indene
- 63488-10-8
4-tert-butylmagnesium bromide
- 245653-52-5
2-methyl-7-(4-tert-butylphenyl)-1H-indene
| Conditions | Yield |
|---|---|
| With (IPr)NiCl2PPh3 In tetrahydrofuran at 20℃; for 0.833333h; Reflux; | 96% |
- 683229-41-6
4-tert-butyl-2',3'-bis(chloromethyl)biphenyl
- 79-20-9
acetic acid methyl ester
A
- 245653-52-5
2-methyl-7-(4-tert-butylphenyl)-1H-indene
| Conditions | Yield |
|---|---|
| Stage #1: 4-tert-butyl-2',3'-bis(chloromethyl)biphenyl With magnesium-anthracene In tetrahydrofuran at 0 - 20℃; for 1h; Stage #2: acetic acid methyl ester In tetrahydrofuran at 0 - 20℃; Stage #3: toluene-4-sulfonic acid In toluene for 1.5h; Heating / reflux; | A 28% B 28% |
- 880652-93-7
4(7)-bromo-2-methyl-1(3)H-indene
- 3972-65-4
1-bromo-4-tert-butylbenzene
A
- 245653-52-5
2-methyl-7-(4-tert-butylphenyl)-1H-indene
| Conditions | Yield |
|---|---|
| Stage #1: 1-bromo-4-tert-butylbenzene With magnesium In tetrahydrofuran Inert atmosphere; Schlenk technique; Glovebox; Stage #2: 4(7)-bromo-2-methyl-1(3)H-indene With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](triphenylphosphine)nickel(II) dichloride In tetrahydrofuran for 0.833333h; Inert atmosphere; Schlenk technique; Glovebox; Reflux; Overall yield = 96 %; Overall yield = 93.8 g; |
- 245653-52-5
2-methyl-7-(4-tert-butylphenyl)-1H-indene
- 1417536-78-7
(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)(chloro)dimethylsilane
- 1417536-81-2
(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)[4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl] dimethylsilane
| Conditions | Yield |
|---|---|
| Stage #1: 7-(4-tert-butylphenyl)-2-methyl-1H-indene With n-butyllithium In diethyl ether; hexane at -78 - 20℃; for 1h; Stage #2: With copper(l) cyanide In diethyl ether at 20℃; Stage #3: (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)(chloro)dimethylsilane In diethyl ether at -70℃; | 91% |
| Stage #1: 7-(4-tert-butylphenyl)-2-methyl-1H-indene With n-butyllithium In diethyl ether; hexane at -78 - 20℃; Inert atmosphere; Schlenk technique; Glovebox; Stage #2: With copper(l) cyanide In diethyl ether; hexane at -60 - -20℃; for 1h; Inert atmosphere; Schlenk technique; Glovebox; Stage #3: (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)(chloro)dimethylsilane In diethyl ether; hexane at -70 - 20℃; Inert atmosphere; Schlenk technique; Glovebox; | 91% |
| In water |
- 245653-52-5
2-methyl-7-(4-tert-butylphenyl)-1H-indene
- 1417537-03-1
chloro [4-(3,5-di-tert-butylphenyl)-7-methoxy-2-methyl-1H-inden-1-yl]dimethylsilane
- 1613522-83-0
[2-methyl-4-(4-tert-Butylphenyl)-1H-inden-1-yl]-[2-methyl-4-(3,5-di-tert-butylphenyl)-7-methoxy-1H-inden-1-yl]dimethylsilane
| Conditions | Yield |
|---|---|
| In water | 90% |
| In water | 90% |
- 245653-52-5
2-methyl-7-(4-tert-butylphenyl)-1H-indene
- 1417536-78-7
(6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)(chloro)dimethylsilane
- 1417537-12-2
[6-tert-Butyl-4-(3,5-di-tert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl] [4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]dimethylsilane
| Conditions | Yield |
|---|---|
| Stage #1: 7-(4-tert-butylphenyl)-2-methyl-1H-indene With n-butyllithium In diethyl ether; hexane at -40 - 20℃; Stage #2: With copper(l) cyanide In diethyl ether at -40 - 20℃; Stage #3: (6-tert-butyl-5-methoxy-2-methyl-4-phenyl-1H-inden-1-yl)(chloro)dimethylsilane | 80% |
- 245653-52-5
2-methyl-7-(4-tert-butylphenyl)-1H-indene
- 1417536-91-4
chloro [6-isopropyl-2-methyl-5-(pentafluorophenoxy)-4-phenyl-1H-inden-1-yl] dimethylsilane
| Conditions | Yield |
|---|---|
| Stage #1: 7-(4-tert-butylphenyl)-2-methyl-1H-indene With n-butyllithium In diethyl ether; hexane at -40 - 20℃; for 1h; Stage #2: With copper(l) cyanide In diethyl ether; water at 20℃; Stage #3: chloro [6-isopropyl-2-methyl-5-(pentafluorophenoxy)-4-phenyl-1H-inden-1-yl] dimethylsilane | 53% |
- 245653-52-5
2-methyl-7-(4-tert-butylphenyl)-1H-indene
- 1417537-11-1
[2-methyl-4-(3',5'-di-tert-butylphenyl)-6-tert-butyl-5-methoxy-1H-inden-1-yl] chlorodimethylsilane
- 1417537-12-2
[6-tert-Butyl-4-(3,5-di-tert-butylphenyl)-5-methoxy-2-methyl-1H-inden-1-yl] [4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl]dimethylsilane
| Conditions | Yield |
|---|---|
| In hexane; dichloromethane; water |
- 245653-52-5
2-methyl-7-(4-tert-butylphenyl)-1H-indene
- 1613522-92-1
[2-methyl-4-(3,5-di-tert-butylphenyl)-6-tert-butyl-1H-inden-1-yl] (chloro)dimethylsilane
- 1613522-93-2
[2-methyl-4-(3,5-di-tert-butylphenyl)-6-tert-Butyl-1H-inden-1-yl] [2-methyl-4-(4-tert-butylphenyl)-1H-inden-1-yl] dimethylsilane
| Conditions | Yield |
|---|---|
| In dichloromethane; water | |
| In dichloromethane; water |
- 245653-52-5
2-methyl-7-(4-tert-butylphenyl)-1H-indene
- 75-78-5
dimethylsilicon dichloride
- 324534-23-8
[2-methyl-4-(4-tert-butylphenyl)-1H-inden-1-yl](chloro)dimethylsilane
| Conditions | Yield |
|---|---|
| In tetrahydrofuran; toluene | |
| In tetrahydrofuran; toluene |
7-(4-tert-Butylphenyl)-2-methyl-1H-indene Specification
The 7-(4-tert-Butylphenyl)-2-methyl-1H-indene is an organic compound with the formula C20H22. The systematic name of this chemical is 7-(4-tert-butylphenyl)-2-methyl-1H-indene. With the CAS registry number 245653-52-5, it is also named as 1H-indene, 7-[4-(1,1-dimethylethyl)phenyl]-2-methyl-.
Physical properties about this chemical are: (1)ACD/LogP: 6.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 111324; (6)ACD/BCF (pH 7.4): 111324; (7)ACD/KOC (pH 5.5): 142537; (8)ACD/KOC (pH 7.4): 142537; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.569; (11)Molar Refractivity: 85.714 cm3; (12)Molar Volume: 261.774 cm3; (13)Polarizability: 33.98×10-24cm3; (14)Surface Tension: 36.465 dyne/cm; (15)Density: 1.002 g/cm3; (16)Flash Point: 207.262 °C; (17)Enthalpy of Vaporization: 61.377 kJ/mol; (18)Boiling Point: 389.402 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1(cccc\2c1C/C(=C/2)C)c3ccc(cc3)C(C)(C)
(2)InChI: nChI=1/C20H22/c1-14-12-16-6-5-7-18(19(16)13-14)15-8-10-17(11-9-15)20(2,3)4/h5-12H,13H2,1-4H3
(3)InChIKey: PTXKTRAWAVSZKX-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C20H22/c1-14-12-16-6-5-7-18(19(16)13-14)15-8-10-17(11-9-15)20(2,3)4/h5-12H,13H2,1-4H3 (5)Std. InChIKey: PTXKTRAWAVSZKX-UHFFFAOYSA-N
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