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CAS No.: | 1889-67-4 |
---|---|
Name: | 2,3-Dimethyl-2,3-diphenyl butane |
Article Data: | 162 |
Molecular Structure: | |
Formula: | C18H22 |
Molecular Weight: | 238.373 |
Synonyms: | Bibenzyl, a,a,a',a'-tetramethyl- (6CI,8CI);1,1,2,2-Tetramethyl-1,2-diphenylethane;1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis[benzene];1,2-Diphenyltetramethylethane;2,3-Diphenyl-2,3-dimethylbutane;BC 90;Bicumyl;CCDFB 90;Dicumene;Dicumyl;Interox CC-DFB;NSC 34859;Nofmer BC;Nofmer BC 90;Perkadox 30;a,a,a',a'-Tetramethylbibenzyl;a,a'-Dicumyl; |
EINECS: | 217-568-2 |
Density: | 0.95 g/cm3 |
Melting Point: | 90-110 °C |
Boiling Point: | 306.1 °C at 760 mmHg |
Flash Point: | 142.7 °C |
Solubility: | insoluble in water |
Appearance: | white to light yellow flakes, crystalline powder |
Hazard Symbols: | T+ |
Risk Codes: | R28 |
Safety: | 24/25 |
PSA: | 0.00000 |
LogP: | 4.94200 |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride; titanium(III) chloride In tetrahydrofuran Heating; | 92% |
With hydrogen bromide; zinc Reagens 4: Essigsaeure; | |
With hydrogenchloride; zinc Reagens 4: Essigsaeure; |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; (5,10,15,20-tetramesitylporphyrinato)manganese(III) chloride; oxygen In ethanol; benzene for 0.583333h; Ambient temperature; | A 8% B 92% |
With sodium tetrahydroborate; oxygen; meso-tetraphenylporphyrin iron(III) chloride In methanol; benzene Ambient temperature; | A 41% B 40% |
Conditions | Yield |
---|---|
With sodium naphthalenide In tetrahydrofuran at 25℃; Product distribution; Mechanism; | A 8.8% B 91.2% |
With potassium hydroxide; mercury In ethanol at 20℃; pH=13; Reduction; Electrolysis; | A 2 % Chromat. B 85 % Chromat. |
Conditions | Yield |
---|---|
In tetrahydrofuran -78 deg C to 66 deg C in 1 h; 66 deg C, 3 h; | 90% |
Conditions | Yield |
---|---|
With nitrous oxide; sodium tetrahydroborate; meso-tetraphenylporphyrin iron(III) chloride; tetramethyl ammoniumhydroxide In methanol; toluene for 14h; Reagent/catalyst; Time; | 87% |
Multi-step reaction with 4 steps 2: aq. NaOH / H2O 3: 47 percent / MgSO4, KMnO4 / acetone; H2O / 46 h / 25 - 30 °C 4: 9 percent / hexamethylphosphoric acid triamide / 45 h / Irradiation View Scheme |
Isopropylbenzene
2,2-bis(tert-butylperoxy)butane
A
tert-butyl peroxyacetate
B
dicumene
C
tert-butyl cumyl peroxide
D
acetone
E
butanone
F
tert-butyl alcohol
Conditions | Yield |
---|---|
at 100℃; for 11h; Product distribution; Mechanism; | A 61% B 86% C 8% D 15% E 16% F 104 % |
at 110℃; for 2h; |
Conditions | Yield |
---|---|
With di-tert-butyl peroxide; sodium acetate at 120℃; for 10h; Schlenk technique; Green chemistry; | 85% |
With di-tert-butyl peroxide; sodium acetate at 120℃; for 10h; | 85% |
With trans-di-O-tert-butyl hyponitrite at 80℃; for 0.5h; | 54.5% |
methyl magnesium iodide
Isopropylbenzene
α-chloro-nitroso-2,2,6,6-tetramethylcyclohexane
A
2,2,6,6-Tetramethylcyclohexanone oxime
B
dicumene
C
C11H21NO
D
2,2,6,6-Tetramethyl-cyclohexanone O-(1-methyl-1-phenyl-ethyl)-oxime
Conditions | Yield |
---|---|
Product distribution; Mechanism; Investigation of the reaction of the title compound with Grignard and organolithium reagents. The effect of various solvents is examined.; | A 85% B 22% C 2% D 3% |
methyl magnesium iodide
α-chloro-nitroso-2,2,6,6-tetramethylcyclohexane
A
n-butyllithium
B
dicumene
C
C11H21NO
D
2,2,6,6-Tetramethyl-cyclohexanone O-(1-methyl-1-phenyl-ethyl)-oxime
Conditions | Yield |
---|---|
In various solvent(s) | A 85% B 22% C 2% D 3% |
Isopropylbenzene
α-chloro-nitroso-2,2,6,6-tetramethylcyclohexane
A
2,2,6,6-Tetramethylcyclohexanone oxime
B
dicumene
C
C11H21NO
D
2,2,6,6-Tetramethyl-cyclohexanone O-(1-methyl-1-phenyl-ethyl)-oxime
Conditions | Yield |
---|---|
A 85% B 22% C 2% D 3% |
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The Benzene,1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-, with CAS registry number 1889-67-4, has the systematic name of 1,1'-(2,3-dimethylbutane-2,3-diyl)dibenzene. This chemical is a kind of white to light yellow flakes, crystalline powder. When use this chemical, avoid contact with skin and eyes. What's more, its EINECS is 217-568-2.
Physical properties of Benzene,1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-: (1)ACD/LogP: 6.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.09; (4)ACD/LogD (pH 7.4): 6.09; (5)ACD/BCF (pH 5.5): 25150.25; (6)ACD/BCF (pH 7.4): 25150.25; (7)ACD/KOC (pH 5.5): 49146.61; (8)ACD/KOC (pH 7.4): 49146.61; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 77.96 cm3; (15)Molar Volume: 250.6 cm3; (16)Polarizability: 30.9×10-24cm3; (17)Surface Tension: 32.5 dyne/cm; (18)Enthalpy of Vaporization: 52.47 kJ/mol; (19)Vapour Pressure: 0.00143 mmHg at 25°C.
Preparation: this chemical can be prepared by isopropylbenzene. This reaction will need reagents aluminium-powder, air. The reaction temperature is 148 ℃.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1C(C(c2ccccc2)(C)C)(C)C
(2)InChI: InChI=1/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
(3)InChIKey: HGTUJZTUQFXBIH-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
(5)Std. InChIKey: HGTUJZTUQFXBIH-UHFFFAOYSA-N