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1-Phenyl-1,3,3-trimethylindan

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Name

1-Phenyl-1,3,3-trimethylindan

EINECS 223-467-4
CAS No. 3910-35-8 Density 0.987 g/cm3
PSA 0.00000 LogP 4.67390
Solubility N/A 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 N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3910-35-8 (1-PHENYL-1,3,3-TRIMETHYLINDAN) Hazard Symbols N/A
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;

Article Data 113

1-Phenyl-1,3,3-trimethylindan Synthetic route

98-83-9

isopropenylbenzene

3910-35-8

1,1,3-trimethyl-3-phenylindane

Conditions
ConditionsYield
iodine at 70℃; for 0.25h;100%
With phosphotungstic acid In chloroform at 60℃; for 1.5h;99%
With trifluoroacetic acid In dichloromethane96%
934-53-2

cumenyl chloride

3910-35-8

1,1,3-trimethyl-3-phenylindane

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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.;
1184-58-3

dimethylaluminum chloride

98-86-2

acetophenone

3910-35-8

1,1,3-trimethyl-3-phenylindane

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

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

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