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1889-67-4

Basic Information
CAS No.: 1889-67-4
Name: 2,3-Dimethyl-2,3-diphenyl butane
Article Data: 162
Molecular Structure:
Molecular Structure of 1889-67-4 (2,3-Dimethyl-2,3-diphenyl butane)
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
Synthetic route
617-94-7

1-methyl-1-phenylethyl alcohol

1889-67-4

dicumene

Conditions
ConditionsYield
With lithium aluminium tetrahydride; titanium(III) chloride In tetrahydrofuran Heating;92%
With hydrogen bromide; zinc Reagens 4: Essigsaeure;
With hydrogenchloride; zinc Reagens 4: Essigsaeure;
98-83-9

isopropenylbenzene

A

1889-67-4

dicumene

B

617-94-7

1-methyl-1-phenylethyl alcohol

Conditions
ConditionsYield
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%
3457-58-7

2-nitro-2-phenylpropane

A

98-82-8

Isopropylbenzene

B

1889-67-4

dicumene

Conditions
ConditionsYield
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.
98-88-4

benzoyl chloride

Me4(PrO)4(μ-PrO)2W2

Me4(PrO)4(μ-PrO)2W2

1889-67-4

dicumene

Conditions
ConditionsYield
In tetrahydrofuran -78 deg C to 66 deg C in 1 h; 66 deg C, 3 h;90%
98-83-9

isopropenylbenzene

1889-67-4

dicumene

Conditions
ConditionsYield
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
98-82-8

Isopropylbenzene

2167-23-9

2,2-bis(tert-butylperoxy)butane

A

107-71-1

tert-butyl peroxyacetate

B

1889-67-4

dicumene

C

3457-61-2

tert-butyl cumyl peroxide

D

67-64-1

acetone

E

78-93-3

butanone

F

75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
at 100℃; for 11h; Product distribution; Mechanism;A 61%
B 86%
C 8%
D 15%
E 16%
F 104 %
at 110℃; for 2h;
98-82-8

Isopropylbenzene

1889-67-4

dicumene

Conditions
ConditionsYield
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%
917-64-6

methyl magnesium iodide

98-82-8

Isopropylbenzene

62735-89-1

α-chloro-nitroso-2,2,6,6-tetramethylcyclohexane

A

7007-40-1

2,2,6,6-Tetramethylcyclohexanone oxime

B

1889-67-4

dicumene

C

76014-60-3

C11H21NO

D

76014-62-5

2,2,6,6-Tetramethyl-cyclohexanone O-(1-methyl-1-phenyl-ethyl)-oxime

Conditions
ConditionsYield
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%
917-64-6

methyl magnesium iodide

62735-89-1

α-chloro-nitroso-2,2,6,6-tetramethylcyclohexane

A

109-72-8, 29786-93-4

n-butyllithium

B

1889-67-4

dicumene

C

76014-60-3

C11H21NO

D

76014-62-5

2,2,6,6-Tetramethyl-cyclohexanone O-(1-methyl-1-phenyl-ethyl)-oxime

Conditions
ConditionsYield
In various solvent(s)A 85%
B 22%
C 2%
D 3%
98-82-8

Isopropylbenzene

62735-89-1

α-chloro-nitroso-2,2,6,6-tetramethylcyclohexane

A

7007-40-1

2,2,6,6-Tetramethylcyclohexanone oxime

B

1889-67-4

dicumene

C

76014-60-3

C11H21NO

D

76014-62-5

2,2,6,6-Tetramethyl-cyclohexanone O-(1-methyl-1-phenyl-ethyl)-oxime

Conditions
ConditionsYield
A 85%
B 22%
C 2%
D 3%
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Specification

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