1-Phenyl-1,3,3-trimethylindan supplier

Name
1-PHENYL-1,3,3-TRIMETHYLINDAN
EINECS 223-467-4
CAS No. 3910-35-8
Article Data113
CAS DataBase
Density 0.987 g/cm³
Solubility
Melting Point 52.5°C
Formula C₁₈H₂₀
Boiling Point 308.5 °C at 760 mmHg
Molecular Weight 236.357
Flash Point 156.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indan,1,1,3-trimethyl-3-phenyl- (6CI,7CI,8CI);1,1,3-Trimethyl-3-phenylindan;1,1,3-Trimethyl-3-phenylindane;1,2-Dihydro-1,3,3-trimethyl-1-phenylindene;1,3,3-Trimethyl-1-phenylindan;1,3,3-Trimethyl-1-phenylindane;1-Phenyl-1,3,3-trimethylindane;NSC 11311;NSC55135;Indan, 1,1,3-trimethyl-3-phenyl-;1-Phenyl-1,3,3-trimethylindan;
PSA 0.00000
LogP 4.67390

Synthetic route

: 98-83-9
isopropenylbenzene

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
iodine at 70℃; for 0.25h;	100%
With phosphotungstic acid In chloroform at 60℃; for 1.5h;	99%
With trifluoroacetic acid In dichloromethane	96%

: 934-53-2
cumenyl chloride

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
With zinc diacetate In dichloromethane for 2h; Ambient temperature;	99%
Multi-step reaction with 2 steps 1: CD2Cl2 / -80 °C View Scheme

: 50-00-0
formaldehyd

: 98-83-9
isopropenylbenzene

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
With Ce3+-montmorillonite In toluene at 25℃; for 1h;	99%

: 98-83-9
isopropenylbenzene

A: 3910-35-8
1,1,3-trimethyl-3-phenylindane

B: 6362-80-7
2,4-diphenyl-4-methyl-pent-1-ene

C: 22768-22-5, 22768-23-6, 6258-73-7
4-methyl-2,4-diphenylpent-2-ene

Conditions

Conditions	Yield
thiol-modified Al-loaded mesoporous silica In toluene at 120℃; for 2h;	A 97.1% B 0.7% C 1%
thiol-modified Al-loaded mesoporous silica In toluene at 80℃; for 2h;	A 37.5% B 16.9% C 42.8%
nafion resin; silica gel In various solvent(s) at 50℃; under 760 Torr; Product distribution; Rate constant; var. soluble liquid acids and resin-based solid acids as catalysts; var. time and solv.;

...Expand

: 1184-58-3
dimethylaluminum chloride

: 98-86-2
acetophenone

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
In toluene at 120℃; for 24h; Schlenk technique; Inert atmosphere;	96%

: 617-94-7
1-methyl-1-phenylethyl alcohol

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
iodine at 70℃; for 3h;	91%
With bismuth(III) bromide In 1,2-dichloro-ethane at 50℃; for 4h; Inert atmosphere;	82%
With 0.00044 wt% platinum nanoparticle supported on titanium oxide encapsulated in sulfated p-xylene polymer In nitromethane at 75℃; Irradiation; Inert atmosphere;	76%

: 1889-67-4
dicumene

A: 3910-35-8
1,1,3-trimethyl-3-phenylindane

B: 98-86-2
acetophenone

Conditions

Conditions	Yield
With nitrosonium hexachloroantimonate In dichloromethane at 23℃; for 12h; Mechanism; Quantum yield; Product distribution; Irradiation; other solvent; other reactant; without irradiation;	A 90% B 2%
With nitrosonium hexachloroantimonate In dichloromethane at 23℃; for 12h; Irradiation;	A 90% B 2%

: 826-55-1
2-methyl-2-phenylpropionic acid

A: 3910-35-8
1,1,3-trimethyl-3-phenylindane

B: 201230-82-2
carbon monoxide

Conditions

Conditions	Yield
With tungsten(VI) chloride In dichloromethane at 20℃; for 168h; Inert atmosphere; Schlenk technique;	A 88% B n/a

: 1504-72-9, 13979-22-1, 945-93-7
ethyl 3-phenylbut-2-enoate

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
With trifluoroacetic acid at 80℃; for 24h; Reagent/catalyst; Temperature; Schlenk technique; Inert atmosphere;	86%

: 704-79-0, 704-80-3, 1199-20-8
3-phenylbut-2-enoic acid

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
With trifluoroacetic acid at 80℃; for 24h; Inert atmosphere;	84%

: 78775-63-0
diethyl α-(1-methyl-1-phenylethyl)malonate

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
With phosphoric acid at 90℃; for 1h;	83%

: 945-93-7, 1504-72-9, 13979-22-1
ethyl (Z)-3-phenylbut-2-enoate

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
With trifluoroacetic acid at 80℃; for 24h; Schlenk technique; Inert atmosphere;	82%

: 672-65-1
(1-chloroethyl)benzene

: 98-83-9
isopropenylbenzene

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
zinc(II) chloride at 50℃; for 4h;	80%

: 5243-41-4
2-(α,α-Dimethylbenzyl)malonsaeure

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
With PPA at 90℃; for 1h;	80%

: 56264-36-9
2-cyano-3-methyl-3-phenyl-butyric acid ethyl ester

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
With PPA at 90℃; for 2h;	78%

: 617-94-7
1-methyl-1-phenylethyl alcohol

A: 3910-35-8
1,1,3-trimethyl-3-phenylindane

B: 6362-80-7
2,4-diphenyl-4-methyl-pent-1-ene

C: 68305-40-8
1,1-dimethyl-3-(2-methyl-2-phenylpropyl)-3-phenyl-2,3-dihydro-1H-indene

Conditions

Conditions	Yield
With iron(III) chloride; 1,1,1,3',3',3'-hexafluoro-propanol; nitric acid at 20℃; for 3h; Catalytic behavior;	A 7 %Spectr. B 62% C 9 %Spectr.

...Expand

: 75-24-1
trimethylaluminum

: 1184-58-3
dimethylaluminum chloride

: 98-86-2
acetophenone

A: 3910-35-8
1,1,3-trimethyl-3-phenylindane

B: 98-83-9
isopropenylbenzene

Conditions

Conditions	Yield
In toluene at 120℃; for 24h; Schlenk technique; Inert atmosphere;	A 34% B 57%

...Expand

: 617-94-7
1-methyl-1-phenylethyl alcohol

A: 3910-35-8
1,1,3-trimethyl-3-phenylindane

B: 68305-40-8
1,1-dimethyl-3-(2-methyl-2-phenylpropyl)-3-phenyl-2,3-dihydro-1H-indene

Conditions

Conditions	Yield
With iron(III) chloride; 1,1,1,3',3',3'-hexafluoro-propanol; nitric acid at 20℃; for 3h; Catalytic behavior;	A 57% B 18%

: 81710-07-8
2,2-dimethyl-5-(1-methyl-1-phenylethyl)-1,3-dioxane-4,6-dione

A: 3910-35-8
1,1,3-trimethyl-3-phenylindane

B: 1010-48-6
3-methyl-3-phenylbutanoic acid

Conditions

Conditions	Yield
With PPA at 90℃; for 2h;	A 52% B 26%

: 107-21-1
ethylene glycol

: 98-86-2
acetophenone

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
toluene-4-sulfonic acid In benzene for 18h; Heating;	42%

: 2290-65-5
trimethylsilyl isothiocyanate

: 98-83-9
isopropenylbenzene

A: 3910-35-8
1,1,3-trimethyl-3-phenylindane

B: 25343-67-3
(1-isothiocyanato-1-methyl-ethyl)-benzene

Conditions

Conditions	Yield
With iodine In dichloromethane	A 27% B 27%

...Expand

: 100-66-3
methoxybenzene

: 98-83-9
isopropenylbenzene

A: 3910-35-8
1,1,3-trimethyl-3-phenylindane

B: 6623-93-4
1-(2-(4-methoxyphenyl)propan-2-yl)benzene

Conditions

Conditions	Yield
With C16H22AuClN2; potassium tetrakis(pentafluorophenyl)borate In benzene at 20℃; for 16h; Inert atmosphere; Schlenk technique; Sealed tube;	A 7% B 25%

...Expand

: 61455-18-3
2-hydroxy-2-methyl-4.4-diphenyl-pentane

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
With hydrogenchloride; tin(IV) chloride; benzene

: 4-Methyl-3,4-diphenyl-pentanol-2

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
With sulfuric acid

: 75-24-1
trimethylaluminum

: 65-85-0
benzoic acid

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
at 130 - 150℃; for 24h;

: 6362-80-7
2,4-diphenyl-4-methyl-pent-1-ene

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene for 1.5h; Ambient temperature;	0.98 g
With bismuth(III) bromide In 1,2-dichloro-ethane at 50℃; Inert atmosphere;

: 5676-79-9
azocumene

A: 98-82-8
Isopropylbenzene

B: 1889-67-4
dicumene

C: 3910-35-8
1,1,3-trimethyl-3-phenylindane

D: 62545-70-4
p-cumylcumene

E: 72235-66-6
2-(Isopropyl-phenyl)-2-phenyl-propan

F: 98-83-9
isopropenylbenzene

Conditions

Conditions	Yield
With silica surface at 55℃; Kinetics; Mechanism; Rate constant; energy data (ΔH(excit.), ΔS(excit.)); also photolysis at 25 deg C; labeling studies;

...Expand

: 79-46-9
2-nitropropane

: 71-43-2
benzene

A: 98-82-8
Isopropylbenzene

B: 2177-45-9
1,1,3-trimethylindene

C: 3910-35-8
1,1,3-trimethyl-3-phenylindane

D: 778-22-3
2,2-diphenylpropane

E: 32507-26-9, 58343-29-6
3,3,3',3'-tetramethyl-1,1'-spiro-biindane

F: 13864-90-9
1',3,3,3',3'-pentamethyl-1-(1'-indanyl-methylene)-indane

Conditions

Conditions	Yield
With aluminium trichloride Product distribution; Mechanism; 2 h, room temp., 55 deg C, various periods of time;

...Expand

: 98-83-9
isopropenylbenzene

A: 3910-35-8
1,1,3-trimethyl-3-phenylindane

B: 6362-80-7
2,4-diphenyl-4-methyl-pent-1-ene

C: 22768-22-5
(E)-(4-methylpent-2-ene-2,4-diyl)dibenzene

Conditions

Conditions	Yield
aluminum oxide; titanium(IV) oxide at 30℃; for 90h; Product distribution; Mechanism; variation of catalysts and reaction time;
With hydrogenchloride In cyclohexane; water at 170℃; for 12h; investigation of H-D exchange of styrenes in dilute acid at elevated temperatures; deuterium content not efficient;
With hydrogenchloride In cyclohexane; water at 170℃; for 12h;	A 3.7 % Chromat. B 31.7 % Chromat. C 32.6 % Chromat.

...Expand

: 98-83-9
isopropenylbenzene

A: 3910-35-8
1,1,3-trimethyl-3-phenylindane

B: 41906-71-2
1-phenyl-3-(2-phenyl-2-methylpropyl)-1,3-dimethylindan

Conditions

Conditions	Yield
x In nitromethane at 25℃; for 0.0833333h; Yield given;
(BF4)2 In nitromethane at 25℃; for 1h; Yield given;

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

: 109751-35-1
1,3,3-trimethyl-5-nitro-1-(4-nitrophenyl)-2,3-dihydro-1H-indene

Conditions

Conditions	Yield
With sulfuric acid; nitric acid In dichloromethane at 0 - 5℃;	83%

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

A: 109751-35-1
1,3,3-trimethyl-5-nitro-1-(4-nitrophenyl)-2,3-dihydro-1H-indene

B: 86126-32-1
1,3,3-trimethyl-6-nitro-1-(4-nitrophenyl)-2,3-dihydro-1H-indene

Conditions

Conditions	Yield
With nitric acid at 60℃; for 6h; Reagent/catalyst; Temperature; Autoclave; Overall yield = 88.7 percent;	A 31% B 69%
With sulfuric acid; nitric acid In chloroform at 2 - 8℃; Temperature; Overall yield = 77.3 %; Overall yield = 25.2 g;	A 16.8 g B 8.4 g

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

A: 5-amino-1-(4'-aminophenyl)-1,3,3-trimethylindane

B: 54628-90-9
6-amino-1-(4'-aminophenyl)-1,3,3-trimethylindane

Conditions

Conditions	Yield
Stage #1: 1,1,3-trimethyl-3-phenylindane With nitric acid at 60℃; for 6h; Stage #2: With palladium 10% on activated carbon; hydrogen at 70℃; under 12001.2 - 15001.5 Torr; for 8h; Reagent/catalyst; Temperature; Pressure; Overall yield = 84 percent;	A 31% B 69%

: 3910-35-8
1,1,3-trimethyl-3-phenylindane

: 32507-26-9, 58343-29-6
3,3,3',3'-tetramethyl-1,1'-spiro-biindane

Conditions

Conditions	Yield
With aluminium trichloride

1-Phenyl-1,3,3-trimethylindan Specification

The 1-Phenyl-1,3,3-trimethylindan, with the CAS registry number 3910-35-8 and EINECS registry number 223-467-4, has the systematic name of 1,1,3-trimethyl-3-phenyl-2,3-dihydro-1H-indene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₈H₂₀.

The characteristics of 1-Phenyl-1,3,3-trimethylindan are as followings: (1)ACD/LogP: 6.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.16; (4)ACD/LogD (pH 7.4): 6.16; (5)ACD/BCF (pH 5.5): 28451.73; (6)ACD/BCF (pH 7.4): 28451.73; (7)ACD/KOC (pH 5.5): 53682.84; (8)ACD/KOC (pH 7.4): 53682.84; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 76.8 cm³; (15)Molar Volume: 239.5 cm³; (16)Polarizability: 30.44×10^-24cm³; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 0.986 g/cm³; (19)Flash Point: 156.5 °C; (20)Enthalpy of Vaporization: 52.73 kJ/mol; (21)Boiling Point: 308.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00123 mmHg at 25°C.

Preparation of 1-Phenyl-1,3,3-trimethylindan: This chemical can be prepared by ethane-1,2-diol and 1-phenyl-ethanone. The reaction will need catalyst TsOH, and the menstruum benzene. The reaction time is 18 hours with heating, and the yield is about 42%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cccc3c1C(c2ccccc2)(CC3(C)C)C
(2)InChI: InChI=1/C18H20/c1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h4-12H,13H2,1-3H3
(3)InChIKey: ICLPNZMYHDVKKI-UHFFFAOYAA

Product Name

1-PHENYL-1,3,3-TRIMETHYLINDAN

Synthetic route

1-Phenyl-1,3,3-trimethylindan Specification

Related Products

Hot Products