2,6-Di-tert-butylnaphthalene supplier

Name
2,6-Di-tert-butylnaphthalene
EINECS 223-461-1
CAS No. 3905-64-4
Article Data29
CAS DataBase
Density 0.936 g/cm³
Solubility
Melting Point 148 °C
Formula C₁₈H₂₄
Boiling Point 335.1 °C at 760 mmHg
Molecular Weight 240.389
Flash Point 165.2 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Naphthalene,2,6-di-tert-butyl- (6CI,7CI,8CI);NSC 91463;
PSA 0.00000
LogP 5.43480

Synthetic route

: 91-20-3
naphthalene

: 507-20-0
tertiary butyl chloride

A: 10275-58-8
2,7-di-tert-butylnaphthalene

B: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With aluminium trichloride a) heating, 3 h, b) r.t., 8 h;	A 36% B n/a
With aluminium trichloride at 40 - 45℃; for 1h;	A n/a B 32%
With aluminum (III) chloride In neat (no solvent) at 45℃; for 1.5h; Friedel-Crafts Alkylation;

...Expand

: 91-20-3
naphthalene

: 507-20-0
tertiary butyl chloride

: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With aluminium trichloride in der Waerme;
With zinc(II) chloride at 148℃;
With tetrachloromethane; hydrogen fluoride at 0℃;
With tetrachloromethane; hydrogen fluoride at 0℃;

: 91-20-3
naphthalene

: 78-83-1
2-methyl-propan-1-ol

: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With sulfuric acid at 80 - 100℃;

: 91-20-3
naphthalene

: 75-65-0
tert-butyl alcohol

: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With hydrogen fluoride at 0 - 8℃;

: Sodium; 3,7-di-tert-butyl-naphthalene-1-sulfonate

: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With sulfuric acid at 150 - 160℃;

: C18H24(1-)*K(1+)

: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With naphthalene at 25℃; Thermodynamic data; Equilibrium constant; ΔH0, ΔS0; thermodynamic parameters of stabilities and electron-transfer reactions of solvated (DME) and gas-phase anion radicals of naphthalene and substituted naphthalenes;
With 2-tert-butylnaphthalene at 25℃; Thermodynamic data; Equilibrium constant; ΔH0, ΔS0; thermodynamic parameters of stabilities and electron-transfer reactions of solvated (DME) and gas-phase anion radicals of naphthalene and substituted naphthalenes;

: 91-20-3
naphthalene

: 75-65-0
tert-butyl alcohol

A: 2876-35-9
2-tert-butylnaphthalene

B: 10275-58-8
2,7-di-tert-butylnaphthalene

C: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
HY(20) zeolite In cyclohexane at 160℃; for 8h; Product distribution; various temp., time and zeolite catalysts;
HM zeolite In cyclohexane at 160℃; Product distribution; Further Variations:; Catalysts; Solvents; Temperatures; time;

...Expand

: 91-20-3
naphthalene

: 7637-07-2
boron trifluoride

: 75-65-0
tert-butyl alcohol

A: 2876-35-9
2-tert-butylnaphthalene

B: 3905-64-4
2,6-di-tert-butylnaphthalene

...Expand

: 7446-70-0
aluminium trichloride

: 91-20-3
naphthalene

: 507-20-0
tertiary butyl chloride

A: 2876-35-9
2-tert-butylnaphthalene

B: 10275-58-8
2,7-di-tert-butylnaphthalene

C: 3905-64-4
2,6-di-tert-butylnaphthalene

...Expand

: 7446-70-0
aluminium trichloride

: 91-20-3
naphthalene

: 507-20-0
tertiary butyl chloride

: 110-82-7
cyclohexane

A: 2876-35-9
2-tert-butylnaphthalene

B: 10275-58-8
2,7-di-tert-butylnaphthalene

C: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
at 0 - 20℃;

...Expand

: 56-23-5
tetrachloromethane

: 91-20-3
naphthalene

: 507-20-0
tertiary butyl chloride

: 7664-39-3
hydrogen fluoride

A: 2876-35-9
2-tert-butylnaphthalene

B: 10275-58-8
2,7-di-tert-butylnaphthalene

C: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
at 0℃;
at 0℃;

...Expand

: 91-20-3
naphthalene

: 7664-39-3
hydrogen fluoride

: 75-65-0
tert-butyl alcohol

A: 2876-35-9
2-tert-butylnaphthalene

B: 10275-58-8
2,7-di-tert-butylnaphthalene

C: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
at 0 - 5℃;

...Expand

: 7446-70-0
aluminium trichloride

: 91-20-3
naphthalene

: 507-20-0
tertiary butyl chloride

CS2: CS2

A: 2876-35-9
2-tert-butylnaphthalene

B: 10275-58-8
2,7-di-tert-butylnaphthalene

C: 3905-64-4
2,6-di-tert-butylnaphthalene

...Expand

: 91-20-3
naphthalene

: 507-20-0
tertiary butyl chloride

ZnCl2: ZnCl2

A: 2876-35-9
2-tert-butylnaphthalene

B: 10275-58-8
2,7-di-tert-butylnaphthalene

C: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
at 70 - 100℃;

...Expand

: 91-20-3
naphthalene

: 1634-04-4
tert-butyl methyl ether

A: 2876-35-9
2-tert-butylnaphthalene

B: 10275-58-8
2,7-di-tert-butylnaphthalene

C: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With HM zeolite In cyclohexane at 180℃; for 18h; Title compound not separated from byproducts.;	A 37 % Chromat. B 0.5 % Chromat. C 10 % Chromat.

...Expand

: 91-20-3
naphthalene

: 6163-66-2
2,2'-oxybis(2-methyl-propane)

A: 2876-35-9
2-tert-butylnaphthalene

B: 10275-58-8
2,7-di-tert-butylnaphthalene

C: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With HM zeolite In cyclohexane at 180℃; for 18h; Title compound not separated from byproducts.;	A 37 % Chromat. B 0.8 % Chromat. C 10 % Chromat.

...Expand

: 91-20-3
naphthalene

: 75-28-5
Isobutane

A: 2876-35-9
2-tert-butylnaphthalene

B: 10275-58-8
2,7-di-tert-butylnaphthalene

C: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With gallium(III) trichloride at 70℃; for 12h;

...Expand

: 91-20-3
naphthalene

: 115-11-7
isobutene

A: 10275-58-8
2,7-di-tert-butylnaphthalene

B: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With H-mordenite under 3750.38 Torr; for 4h; Inert atmosphere; Heating;

...Expand

: 91-20-3
naphthalene

: 115-11-7
isobutene

A: 17085-91-5
1-(tert-butyl)naphthalene

B: 10565-10-3
1,4-di-tert-butylnaphthalene

C: 243664-95-1
1,7-di-t-butylnaphthalene

D: 1,6-di-t-butylnaphthalene

E: 24157-76-4
1,5-di-tert-butylnaphthalene

F: 22495-85-8
1,3-di-tert-butylnaphthalene

G: 2876-35-9
2-tert-butylnaphthalene

H: 10275-58-8
2,7-di-tert-butylnaphthalene

I: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With H-mordenite at 300℃; under 3750.38 Torr; for 4h; Autoclave;
With H-mordenite at 200℃; under 3750.38 Torr; for 4h; Autoclave;

...Expand

: 91-20-3
naphthalene

: 75-65-0
tert-butyl alcohol

A: 2876-35-9
2-tert-butylnaphthalene

B: 3905-64-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With pyrographite In decalin at 175℃; for 0.0833333h; Microwave irradiation; Sealed tube; regioselective reaction;	A 20.5 %Chromat. B 11.8 %Chromat.
With pyrographite In decalin at 200℃; for 0.5h; Microwave irradiation; Sealed tube; regioselective reaction;	A 21.7 %Chromat. B 61.3 %Chromat.

...Expand

: 75-85-4
tert-Amyl alcohol

: 91-20-3
naphthalene

A: 3905-64-4
2,6-di-tert-butylnaphthalene

B: 1369680-27-2
2-tert-amyl-6-tert-butylnaphthalene

C: 1369680-25-0
2,6-di-tert-amylnaphthalene

D: 20798-05-4
2-t-Amylnaphthalene

Conditions

Conditions	Yield
With H-Mordenite (HM; Si/Al = 10) zeolite In cyclohexane at 180℃; under 25858.1 Torr; for 6h; Autoclave; Inert atmosphere; regioselective reaction;	A 0.5 %Chromat. B 6 %Chromat. C 16 %Chromat. D 60 %Chromat.

...Expand

: 75-85-4
tert-Amyl alcohol

: 91-20-3
naphthalene

A: 3905-64-4
2,6-di-tert-butylnaphthalene

B: 1369680-25-0
2,6-di-tert-amylnaphthalene

C: 20798-05-4
2-t-Amylnaphthalene

Conditions

Conditions	Yield
With H-Mordenite (HM; Si/Al = 10) zeolite In cyclohexane at 180℃; for 6h; Autoclave; Inert atmosphere; regioselective reaction;	A 0.5 %Chromat. B 7 %Chromat. C 49 %Chromat.

...Expand

: 91-20-3
naphthalene

: 598-75-4
3-methyl-2-butanol

A: 3905-64-4
2,6-di-tert-butylnaphthalene

B: 1369680-27-2
2-tert-amyl-6-tert-butylnaphthalene

C: 1369680-25-0
2,6-di-tert-amylnaphthalene

D: 20798-05-4
2-t-Amylnaphthalene

Conditions

Conditions	Yield
With H-Mordenite (HM; Si/Al = 10) zeolite In cyclohexane at 180℃; for 30h; Autoclave; Inert atmosphere; regioselective reaction;	A 2 %Chromat. B 14 %Chromat. C 20 %Chromat. D 56 %Chromat.

...Expand

: 3905-64-4
2,6-di-tert-butylnaphthalene

: 20870-33-1
1-bromo-3,7-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With trimethyl phosphite; bromine at 70℃;	97%
With bromine In dichloromethane at 0℃; for 0.5h;

: 3905-64-4
2,6-di-tert-butylnaphthalene

: 76-05-1
trifluoroacetic acid

: 2,3',6,7'-tetra-tert-butyl-1,1'-binaphthyl-4-yl trifluoroacetate

Conditions

Conditions	Yield
With 5% rhodium-on-charcoal; oxygen at 50℃; for 14h;	84%

: 3905-64-4
2,6-di-tert-butylnaphthalene

: 75-36-5
acetyl chloride

: 1026937-33-6
1-(3,7-di-tert-butyl-naphthalen-1-yl)-ethanone

Conditions

Conditions	Yield
With aluminium trichloride	64%

: 3905-64-4
2,6-di-tert-butylnaphthalene

: 2,6-Di-tert-butyl-1,4-dihydronaphthalene

Conditions

Conditions	Yield
With C8K In tetrahydrofuran at 0℃; Product distribution; Mechanism; var. rection time, var. temperature; other disubstituted naphthalenes;	60%
With C8K In tetrahydrofuran at 0℃;	60%

: 3905-64-4
2,6-di-tert-butylnaphthalene

: 20870-38-6
1,5-Dibromo-3,7-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With aluminium trichloride; bromine In dichloromethane for 18h; Ambient temperature;	58%
With bromine; iron In tetrachloromethane at 0℃; for 3.5h;	31%
With bromine; iodine In dichloromethane for 1h; Reflux;

: 3905-64-4
2,6-di-tert-butylnaphthalene

paraformaldehyde: paraformaldehyde

: 79750-36-0
1,5-bis(chloromethyl)-3,7-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With hydrogenchloride In acetic acid at 95 - 98℃; for 8h;	43%

: 3905-64-4
2,6-di-tert-butylnaphthalene

: 31592-22-0
2,6-di-tert-butyl-1,4-naphthoquinone

Conditions

Conditions	Yield
With chromium(VI) oxide; acetic acid
With cerium(IV) ammonium sulphate; sulfuric acid

: 3905-64-4
2,6-di-tert-butylnaphthalene

: 47486-75-9
3,7-di-tert-butylnaphthalene-1,5-disulfonic acid

Conditions

Conditions	Yield
With chlorosulfonic acid

: 3905-64-4
2,6-di-tert-butylnaphthalene

: 3880-74-8
3,7-di-t-butylnaphthalene-1-sulfonic acid

Conditions

Conditions	Yield
With chlorosulfonic acid
With chlorosulfonic acid In 1,2-dichloro-ethane

: 3905-64-4
2,6-di-tert-butylnaphthalene

: 42981-76-0
2,6-di-t-butyl-1,2,3,4-tetrahydronaphthalene

Conditions

Conditions	Yield
(i) H2, Pd-C, AcOH, (ii) AlCl3; Multistep reaction;

: 3905-64-4
2,6-di-tert-butylnaphthalene

A: 20870-30-8
2,6-Di-tert-butyl-1-nitronaphthalin

B: 20870-31-9
3,7-Di-tert-butyl-1-nitronaphthalin

Conditions

Conditions	Yield
With nitric acid; acetic anhydride; acetic acid 1.) 2 deg C, 30 min; 2.) 20 deg C, 12 h; Yield given. Yields of byproduct given;

: 3905-64-4
2,6-di-tert-butylnaphthalene

: 73049-04-4
2,6-di-tert-butylnaphthalene

Conditions

Conditions	Yield
With lithium In tetrahydrofuran for 24h;

: 3905-64-4
2,6-di-tert-butylnaphthalene

: 501-65-5
diphenyl acetylene

: 33828-64-7
C32H34

Conditions

Conditions	Yield
In benzene Irradiation;

: 3905-64-4
2,6-di-tert-butylnaphthalene

: 61357-46-8
2,6-Di-tert.-butyl-naphthalin-disulfonylchlorid-(4,8)

Conditions

Conditions	Yield
With chlorosulfonic acid In carbon disulfide

: 3905-64-4
2,6-di-tert-butylnaphthalene

: 64-19-7
acetic acid

CrO3: CrO3

2.6-di-tert-butyl-naphthoquinone-(1.4): 2.6-di-tert-butyl-naphthoquinone-(1.4)

...Expand

2,6-Di-tert-butylnaphthalene Chemical Properties

IUPAC Name: 2,6-Ditert-butylnaphthalene
Empirical Formula: C₁₈H₂₄
Molecular Weight: 240.3832
Einecs: 223-461-1
Freely Rotating Bonds: 2
Index of Refraction: 1.542
Molar Refractivity: 80.86 cm³
Molar Volume: 256.9 cm³
Polarizability: 32.05 ×10^-24cm³
Surface Tension: 31.1 dyne/cm
Density: 0.935 g/cm³
Flash Point: 165.2 °C
Enthalpy of Vaporization: 55.52 kJ/mol
Boiling Point: 335.1 °C at 760 mmHg
Vapour Pressure: 0.000238 mmHg at 25°C
The Cas Register Number of 2,6-Di-tert-butylnaphthalene is 3905-64-4.The chemical synonyms of 2,6-Di-tert-butylnaphthalene (CAS NO.3905-64-4) are Naphthalene, 2,6-di-tert-butyl- .The molecular structure of 2,6-Di-tert-butylnaphthalene (CAS NO.3905-64-4) is

.

2,6-Di-tert-butylnaphthalene Uses

2,6-Di-tert-butylnaphthalene (CAS NO.3905-64-4) is used as pharmaceutical intermediate.

2,6-Di-tert-butylnaphthalene Safety Profile

Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.

Product Name

2,6-Di-tert-butylnaphthalene

Synthetic route

2,6-Di-tert-butylnaphthalene Chemical Properties

2,6-Di-tert-butylnaphthalene Uses

2,6-Di-tert-butylnaphthalene Safety Profile

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