Name: 7-(4-tert-Butylphenyl)-2-methyl-1H-indene
SKU: 245653-52-5

Products Categories

Pharmaceutical (48)
Others (9)
Organic Chemicals (4)
Reagent (3)
Materials (1)
Synthetic Flavours & Fragrances (1)

Basic Information

Molecular Structure:
CAS No.:	245653-52-5
Name:	7-(4-tert-Butylphenyl)-2-methyl-1H-indene
Article Data:	3

Formula:	C₂₀H₂₂
Molecular Weight:	262.395
Synonyms:	7-(4-tert-Butylphenyl)-2-methyl-1H-indene;
Density:	1.002 g/cm³
Boiling Point:	389.402 °C at 760 mmHg
Flash Point:	207.262 °C
PSA:	0.00000
LogP:	5.61050

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

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

B: 4-(4-(tert-butyl)phenyl)-2-methyl-1H-indene

Conditions

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%

...Expand

: 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

B: 4-(4-(tert-butyl)phenyl)-2-methyl-1H-indene

Conditions

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;

...Expand

: 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

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

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

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

: [4-(4-tert-butylphenyl)-2-methyl-1H-inden-1-yl][6-isopropyl-2-methyl-5-(pentafluorophenoxy)-4-phenyl-1H-inden-1-yl] dimethylsilane

Conditions

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

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

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

Conditions	Yield
In tetrahydrofuran; toluene
In tetrahydrofuran; toluene

Country:
- China (Mainland)(64)
- United States(1)
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:65 Page 1 of 2 1 2 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 245653-52-5

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