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1,1-Diphenylethylene

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Name

1,1-Diphenylethylene

EINECS 208-482-6
CAS No. 530-48-3 Density 0.991 g/cm3
PSA 0.00000 LogP 3.74810
Solubility Miscible with methanol, chloroform and ether. Insoluble in water. Melting Point 6 °C(lit.)
Formula C14H12 Boiling Point 277.165 °C at 760 mmHg
Molecular Weight 180.249 Flash Point 120.364 °C
Transport Information N/A Appearance Clear colorless to golden liquid
Safety 23-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 530-48-3 (1,1-Diphenylethylene) Hazard Symbols N/A
Synonyms

Ethylene,1,1-diphenyl- (8CI);1,1-Diphenylethene;1,1-Diphenylethylene;1,1'-Ethenylidenebis[benzene];NSC 57645;unsym-Diphenylethylene;a,a-Diphenylethylene;alpha-Methylene-diphenylmethane;a-Phenylstyrene;

Article Data 625

1,1-Diphenylethylene Synthetic route

119-61-9

benzophenone

1779-49-3

Methyltriphenylphosphonium bromide

530-48-3

1,1-Diphenylethylene

Conditions
ConditionsYield
Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran
Stage #2: benzophenone In tetrahydrofuran at 20℃; for 6h; Wittig reaction;
100%
Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran at 0℃; for 1h; Inert atmosphere;
Stage #2: benzophenone In tetrahydrofuran at 20℃; Inert atmosphere;
94%
Stage #1: Methyltriphenylphosphonium bromide With potassium tert-butylate In diethyl ether at 20℃; for 0.25h; Inert atmosphere;
Stage #2: benzophenone In diethyl ether at 0℃; for 15h; Inert atmosphere;
87%
119-61-9

benzophenone

111317-20-5

(dichloroalumino)(trichlorotitanio)methane

530-48-3

1,1-Diphenylethylene

Conditions
ConditionsYield
In toluene for 0.5h; Heating;100%
2862-88-6

2,2-diphenylthiirane

23695-65-0

adamantane-2-thione

A

530-48-3

1,1-Diphenylethylene

B

52146-63-1

dispiro[tricyclo[3.3.1.1]decane-2,3''-(1,2,4)-trithiolane-5',2'-tricyclo[3.3.1.1]decane]

Conditions
ConditionsYield
at 100℃; for 1h;A 100%
B 80%
81194-43-6

dimethylallylsilyl 1,1-diphenylethyl ether

530-48-3

1,1-Diphenylethylene

Conditions
ConditionsYield
With titanium tetrachloride In hexane at 0℃;100%
140658-13-5

C29H21F6O2P

A

530-48-3

1,1-Diphenylethylene

B

140658-17-9

1-Phenyl-3,3-bis-trifluoromethyl-2-oxa-1-phospha-indan 1-oxide

Conditions
ConditionsYield
In (2)H8-toluene at 111.3℃; Rate constant; Mechanism; Thermodynamic data; other temperatures, other solvents; kinetic solvent effect, ΔH(excit.), ΔS(excit.);A 100%
B 100%
119-61-9

benzophenone

79899-81-3

H2C=TiCl2

530-48-3

1,1-Diphenylethylene

Conditions
ConditionsYield
Stage #1: benzophenone; H2C=TiCl2 In diethyl ether; toluene at -40 - 20℃;
Stage #2: With water
100%

1,1-Diphenylethylene Specification

The 1,1-Diphenylethylene, with the CAS registry number 530-48-3, is also known as alpha-Methylene-diphenylmethane. It belongs to the product categories of Acyclic; Alkenes; Organic Building Blocks; Building Blocks; Chemical Synthesis. Its EINECS number is 208-482-6. This chemical's molecular formula is C14H12 and molecular weight is 180.24. What's more, its systematic name is 1,1'-(1,1-Ethenediyl)dibenzene. 

Physical properties of 1,1-Diphenylethylene are: (1)ACD/LogP: 3.796; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.80; (4)ACD/LogD (pH 7.4): 3.80; (5)ACD/BCF (pH 5.5): 451.61; (6)ACD/BCF (pH 7.4): 451.61; (7)ACD/KOC (pH 5.5): 2766.19; (8)ACD/KOC (pH 7.4): 2766.19; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2 ; (12)Index of Refraction: 1.577; (13)Molar Refractivity: 60.217 cm3; (14)Molar Volume: 181.83 cm3; (15)Polarizability: 23.872×10-24cm3; (16)Surface Tension: 36.5 dyne/cm; (17)Density: 0.991 g/cm3; (18)Flash Point: 120.364 °C; (19)Enthalpy of Vaporization: 49.498 kJ/mol; (20)Boiling Point: 277.165 °C at 760 mmHg; (21)Vapour Pressure: 0.008 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,1-diphenyl-ethanol at the temperature of 20 °C. This reaction will need reagent Ac2O and solvent CH2Cl2 with the reaction time of 12 hours. This reaction will also need catalyst MgBr2. The yield is about 90%.

1,1-Diphenylethylene can be prepared by 1,1-diphenyl-ethanol at the temperature of 20 °C

Uses of 1,1-Diphenylethylene: it can be used to produce 2-chloro-1,1-diphenyl-ethene at the ambient temperature. It will need reagents benzeneseleninyl chloride, AlCl3 and solvent CH2Cl2 with the reaction time of 2 hours. The yield is about 94%.

1,1-Diphenylethylene can be used to produce 2-chloro-1,1-diphenyl-ethene at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: C=C(c1ccccc1)c2ccccc2
(2)Std. InChI: InChI=1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
(3)Std. InChIKey: ZMYIIHDQURVDRB-UHFFFAOYSA-N  

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