CAS No.6683-46-1,1,2,3,4-Tetrahydro-1,1,4,4-tetramethylnaphthalene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6683-46-1
Name:	1,2,3,4-Tetrahydro-1,1,4,4-tetramethylnaphthalene
Article Data:	28

Formula:	C₁₄H₂₀
Molecular Weight:	188.313
Synonyms:	1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene;1,1,4,4-Tetramethyltetralin;NSC 17400;
EINECS:	229-723-1
Density:	0.883 g/cm³
Melting Point:	115-120℃
Boiling Point:	250.6 °C at 760 mmHg
Flash Point:	101.2 °C
Hazard Symbols:	Xi
Risk Codes:	20/21-36/37/38
Safety:	23-26-36/37/39
PSA:	0.00000
LogP:	4.03560

Synthetic route

: 110-03-2
2,5-dimethyl-2,5-hexanediol

: 71-43-2
benzene

: 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene

Conditions

Conditions	Yield
With aluminium trichloride at 55℃; for 6h;	99%

: 6223-78-5
2,5-dichloro-2,5-dimethyl hexane

: 71-43-2
benzene

: 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene

Conditions

Conditions	Yield
With aluminum (III) chloride for 16h; Reflux;	91%
With aluminum (III) chloride for 16h; Reflux; Inert atmosphere;	88%
With aluminum (III) chloride Friedel-Crafts Alkylation; Reflux; Inert atmosphere;	82%

: 6223-78-5
2,5-dichloro-2,5-dimethyl hexane

: 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene

Conditions

Conditions	Yield
With bromine; sodium hydrogencarbonate; aluminium trichloride In benzene	63%
In aluminium trichloride; benzene
In aluminium trichloride; benzene
In aluminium trichloride; benzene
In aluminium trichloride; benzene

: (η-cyclopentadienyl)(C10H8(CH3)4)(PF6)iron

: 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene

Conditions

Conditions	Yield
In diethyl ether Pyrolysis of the Fe compd. by heating in vacuo, collecting the volatiles on a cold finger at -78°C.; The yellowish sublimate is dissolved in Et2O and purified (alumina), the solvent is removed to afford a clear colourless oil.;	45%

: 97595-53-4
1,1,4,4-Tetramethyl-tetralon-(2)-aethylenthioketal

: 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene

Conditions

Conditions	Yield
With nickel In ethanol

: 51510-58-8
2,5-Dimethyl-5-phenyl-2-hexanol

: 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene

Conditions

Conditions	Yield
With sulfuric acid

: 7446-70-0
aluminium trichloride

: 110-03-2
2,5-dimethyl-2,5-hexanediol

: 71-43-2
benzene

A: 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene

B: 22306-30-5
1,1,4,4,5,5,8,8-octamethyl-1,2,3,4,5,6,7,8-octahydroanthracene

...Expand

: 7446-70-0
aluminium trichloride

: 6223-78-5
2,5-dichloro-2,5-dimethyl hexane

: 71-43-2
benzene

: 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene

Conditions

Conditions	Yield
mit viel AlCl3; dann bei Siedetemperatur; reagiert Analog mit anderen aromatischen Kohlenwasserstoffen;

...Expand

: 1,1,4,4-tetramethyl-decahydro-naphthalene

: 71-43-2
benzene

platinum-coal: platinum-coal

: 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene

Conditions

Conditions	Yield
at 350 - 375℃;

...Expand

: 110-03-2
2,5-dimethyl-2,5-hexanediol

: 6683-46-1
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: conc. HCl, HCl gas / 0.25 h / 0 °C 2: 81.9 percent / AlCl3 / 24 h / Heating View Scheme
Multi-step reaction with 2 steps 1: HCl 2: AlCl3 View Scheme
Multi-step reaction with 2 steps 1: hydrogenchloride / ethanol 2: aluminum (III) chloride View Scheme

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Specification

The 1,1,4,4-Tetramethyltetralin, with the CAS registry number 6683-46-1, is also known as naphthalene, 1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-. Its molecular formula is C₁₄H₂₀and its molecular weight is 188.3086. Additionally, it has the systematic name 1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene.

Other characteristics of the 1,1,4,4-Tetramethyltetralin can be summarised as followings: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/LogD (pH 7.4): 5.97; (5)ACD/BCF (pH 5.5): 20277.3; (6)ACD/BCF (pH 7.4): 20277.3; (7)ACD/KOC (pH 5.5): 42125.41; (8)ACD/KOC (pH 7.4): 42125.41; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.49; (13)Molar Refractivity: 61.68 cm³; (14)Molar Volume: 213 cm³; (15)Polarizability: 24.45×10^-24cm³; (16)Surface Tension: 30.2 dyne/cm; (17)Density: 0.883 g/cm³; (18)Flash Point: 101.2 °C; (19)Enthalpy of Vaporization: 46.82 kJ/mol; (20)Boiling Point: 250.6 °C at 760 mmHg; (21)Vapour Pressure: 0.034 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1ccc2c(c1)C(CCC2(C)C)(C)C
2.InChI: InChI=1/C14H20/c1-13(2)9-10-14(3,4)12-8-6-5-7-11(12)13/h5-8H,9-10H2,1-4H3
3.InChIKey: CCQKWSZYTOCEIB-UHFFFAOYAG