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| CAS No.: | 3910-35-8 |
|---|---|
| Name: | 1-PHENYL-1,3,3-TRIMETHYLINDAN |
| Article Data: | 113 |
| Molecular Structure: | |
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| Formula: | C18H20 |
| Molecular Weight: | 236.357 |
| 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; |
| EINECS: | 223-467-4 |
| Density: | 0.987 g/cm3 |
| Melting Point: | 52.5°C |
| Boiling Point: | 308.5 °C at 760 mmHg |
| Flash Point: | 156.5 °C |
| PSA: | 0.00000 |
| LogP: | 4.67390 |
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| 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% |
| Conditions | Yield |
|---|---|
| With zinc diacetate In dichloromethane for 2h; Ambient temperature; | 99% |
| Multi-step reaction with 2 steps 1: CD2Cl2 / -80 °C View Scheme |
| 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 | 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.; |
| Conditions | Yield |
|---|---|
| In toluene at 120℃; for 24h; Schlenk technique; Inert atmosphere; | 96% |
| 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% |
| 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 | 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 | 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 | Yield |
|---|---|
| With trifluoroacetic acid at 80℃; for 24h; Inert atmosphere; | 84% |
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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