Conditions | Yield |
---|---|
With hydrogen; 0.25% Pd/Al2O3 In xylene at 80℃; under 22502.3 Torr; Product distribution / selectivity; | 98.5% |
With palladium on activated charcoal; hydrogen In ethyl acetate at 20℃; under 7500.75 Torr; for 12h; Autoclave; | 84% |
bei der katalytischen Hydrierung entstehen je nach den Bedingungen verschiedene Produkte.Hydrogenation; |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; iron(II) phthalocyanine; dimethylsulfide; oxygen In ethanol at 20℃; under 760.051 Torr; | 51% |
Conditions | Yield |
---|---|
With sodium tetrahydroborate; iron(II) phthalocyanine; dimethylsulfide; oxygen In ethanol at 20℃; under 760.051 Torr; | 41% |
Conditions | Yield |
---|---|
With sulfuric acid; dihydrogen peroxide; iron(II) sulfate | 36% |
With sulfuric acid; dihydrogen peroxide; iron(II) sulfate | |
With mercury under 760 Torr; Heating; Irradiation; Yield given; | |
zinc sulfide In water for 4h; Irradiation; | |
With sulfuric acid; dihydrogen peroxide; iron(II) sulfate In water at 0 - 20℃; for 0.5h; pH=1; Dimerization; | 0.130 mmol |
2,5-dibromo-2,5-dimethyl-hexane
2,5-dimethyl-2,5-hexanediol
Conditions | Yield |
---|---|
With water; potassium carbonate |
Conditions | Yield |
---|---|
das Reaktionsprodukt liefert beim Zerlegen mit Wasser; |
2,5-dihydroxy-2,5-dimethyl-3-hexyne
A
2,5-dimethyl-2,5-hexanediol
B
2,5-dimethylhexan-2-ol
Conditions | Yield |
---|---|
bei der katalytischen Hydrierung entstehen je nach den Bedingungen verschiedene Produkte.Hydrogenation; | |
With hydrogen; platinum |
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In methanol |
Conditions | Yield |
---|---|
With potassium permanganate In water | |
With 3,3-dimethyldioxirane In acetone for 24h; Ambient temperature; | |
With 3,3-dimethyldioxirane In acetone Rate constant; Ambient temperature; different solvents; | |
Multi-step reaction with 2 steps 1: aq. H2SO4, aq. H2O2 2: FeSO4*7H2O, aq. H2SO4 View Scheme |
2-Hydroperoxy-2,5-dimethylhexane
2,5-dimethyl-2,5-hexanediol
Conditions | Yield |
---|---|
With sulfuric acid; iron(II) sulfate |
Conditions | Yield |
---|---|
With acetone Irradiation; |
2,5-dimethylhexane
A
2,5-dimethyl-2,5-hexanediol
B
2,5-dimethylhexan-2-ol
Conditions | Yield |
---|---|
With 4-nitroperbenzoic acid In chloroform at 60℃; for 36h; Yield given. Yields of byproduct given; | |
With 4-nitroperbenzoic acid In chloroform at 60℃; for 36h; Rate constant; proportion of velocity of the hydroxylation of tert- and sec. C-H-bonds; |
Conditions | Yield |
---|---|
With magnesium In diethyl ether Ambient temperature; |
Conditions | Yield |
---|---|
With hydrogen; Pt/titania In water for 10h; Ambient temperature; Irradiation; | A 0.018 mmol B 0.0016 mmol |
tert-butyl alcohol
A
2,5-dimethyl-2,5-hexanediol
B
methane
C
acetone
D
isobutene
Conditions | Yield |
---|---|
With water G-values; Further Variations:; concentration; Decomposition; sonolysis; |
tert-butyl alcohol
A
2,5-dimethyl-2,5-hexanediol
B
3-chloro-2-methylpropan-2-ol
Conditions | Yield |
---|---|
With dihydrogen peroxide; iron(II) chloride In water at 0 - 20℃; for 0.5h; pH=2; Dimerization; chlorination; | A 0.017 mmol B 0.127 mmol |
sulfuric acid
dihydrogen peroxide
tert-butyl alcohol
2,5-dimethyl-2,5-hexanediol
Conditions | Yield |
---|---|
Leiten einer wss.Loesung durch den inneren Kegel einer Wasserstoff-Sauerstoff-Flamme; |
tert-butyl alcohol
A
tert-Amyl alcohol
B
2,5-dimethyl-2,5-hexanediol
C
methane
D
ethane
E
acetone
Conditions | Yield |
---|---|
Pt on TiO2 In water at 27℃; for 5h; Product distribution; Mechanism; Irradiation; reactions between var. conditions; | A 0.0074 mmol B 0.0159 mmol C 0.0121 mmol D 0.0013 mmol E 0.0151 mmol F n/a |
Conditions | Yield |
---|---|
Hydrogenation; |
Conditions | Yield |
---|---|
at 25℃; under 147102 Torr; Hydrogenation; |
2,5-dimethyl-2,5-hexanediol
2,2,5,5-tetramethyltetrahydrofuran
Conditions | Yield |
---|---|
With beta-zeolite HCZB 25 at 0.85 - 105℃; for 1.5h; Reagent/catalyst; | 100% |
Nafion-H at 130℃; for 2h; | 94% |
With penthaethoxyphosphorane In dichloromethane for 450h; Ambient temperature; | 79.1% |
Conditions | Yield |
---|---|
With hydrogenchloride In water | 100% |
With hydrogenchloride In water at 0℃; Inert atmosphere; Schlenk technique; | 99% |
With hydrogenchloride In water at 20℃; for 5.5h; | 98% |
2,5-dimethyl-2,5-hexanediol
2,5-dihypochloro-2,5-dimethylhexane
Conditions | Yield |
---|---|
With sodium hypochlorite In tetrachloromethane; acetic acid | 100% |
Conditions | Yield |
---|---|
With N-iodo-succinimide In benzene for 0.916667h; Product distribution; Mechanism; Irradiation; varying reaction time; | A 88% B 99% |
2,5-dimethyl-2,5-hexanediol
benzene
1,1,4,4-Tetramethyl-1,2,3,4-tetrahydro-naphthalene
Conditions | Yield |
---|---|
With aluminium trichloride at 55℃; for 6h; | 99% |
Conditions | Yield |
---|---|
In benzene byproducts: isopropyl alcohol; to a benzene soln. of Ti(OPr-i)4 was added a soln. of glycol in benzene,the mixt. was refluxed for 12 h, cooled to room temp.; isopropanol was sepd. during the reaction azeotropically, the volatiles were removed at room temp. under reduced pressure, recrystd. from toluene-hexane at -20°C; elem. anal.; | 99% |
2,5-dimethyl-2,5-hexanediol
phenyl isocyanate
2,5-dimethyl-2,5-bis-(N-phenylcarbamoyloxy)hexane
Conditions | Yield |
---|---|
With MoCl2O2(dmf)2 In N,N-dimethyl-formamide at 60℃; for 0.5h; Inert atmosphere; | 98% |
2,5-dimethyl-2,5-hexanediol
aluminum isopropoxide
N-2,6-triethylphenylsalicylaldimine
Conditions | Yield |
---|---|
In benzene byproducts: i-PrOH; equimolar amounts of Al-comp., glycol and aldimine refluxed ca.24 h; solv. removed in vac., recrystd. from toluene/hexane 1:2 at -20°C, elem. anal.; | 97% |
2,5-dimethyl-2,5-hexanediol
aluminum isopropoxide
2-(((2,6-dimethylphenyl)imino)methyl)phenol
Conditions | Yield |
---|---|
In benzene byproducts: i-PrOH; equimolar amounts of Al-comp., glycol and aldimine refluxed ca.24 h; solv. removed in vac., recrystd. from toluene/hexane 1:2 at -20°C, elem. anal.; | 97% |
2,5-dimethyl-2,5-hexanediol
Tert-butyl isocyanate
2,5-dimethyl-2,5-bis-(N-tert-butylcarbamoyloxy)hexane
Conditions | Yield |
---|---|
With MoCl2O2(dmf)2 In dichloromethane for 4h; Inert atmosphere; Reflux; | 94% |
2,5-dimethyl-2,5-hexanediol
2-(titanatranyloxy)-2,6-dimethyl-6-hydroxyhexane
Conditions | Yield |
---|---|
In dichloromethane under Ar or N2, react. of (diethylamino)titanatrane and 2,5-dimethyl-2,5-hexandiol in equimolar amts., stirring for 1.5 h at room temp.; concg. under vac. to half volume, layering with pentane, cooling to -25°C, pptn. after 24 h; | 92% |
Conditions | Yield |
---|---|
In hexane byproducts: tBuOH; hexane soln. of ligand (0.64 mmol) added dropwise to hexane soln. of Mo compd. (0.32 mmol) at room temp., mixt. stirred for 3 h; filtered off, washed (hexane), recrystd. (CH2Cl2, -20°C), elem. anal.; | 89% |
Conditions | Yield |
---|---|
With sodium hydroxide In tetrahydrofuran; N,N-dimethyl-formamide at 60℃; for 24h; Sealed tube; | 89% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 12h; | 88% |
2,5-dimethyl-2,5-hexanediol
zirconium(IV) tetraisopropoxide 2-propanol
Conditions | Yield |
---|---|
In benzene byproducts: isopropyl alcohol; to a benzene soln. of Zr(OPr-i)4 was added a soln. of glycol in benzene,the mixt. was refluxed for 12 h, cooled to room temp.; isopropanol was sepd. during the reaction azeotropically, the volatiles were removed at room temp. under reduced pressure, recrystd. from toluene-hexane at -20°C; elem. anal.; | 87% |
Conditions | Yield |
---|---|
With toluene-4-sulfonic acid In toluene | 85% |
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 15h; | 84% |
2,5-dimethyl-2,5-hexanediol
Conditions | Yield |
---|---|
In dichloromethane under Ar or N2, react. of (diethylamino)titanatrane and 2,5-dimethyl-2,5-hexandiol in 2:1 molar ratio, stirring for 1.5 h at room temp.; concg. under vac. to half volume, layering with pentane, cooling to -25°C, pptn. after 24 h; | 83% |
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 81% |
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere; | 62% |
2,5-dimethyl-2,5-hexanediol
1,5-bis(tetrazol-5-yl)-3-oxapentane
2,2,5,5-tetramethyl-12-oxa-1,6,7,8,16,17,18,19-octaaza-tricyclo-[13.2.1.16,9]nonadeca-7,9(19),15(18),16-tetraene
Conditions | Yield |
---|---|
With perchloric acid In water at 20℃; for 72h; | 80% |
With perchloric acid In water at 20℃; for 72h; regioselective reaction; | 80% |
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 78% |
2,5-dimethyl-2,5-hexanediol
5-phenyl-2H-1,2,3,4-tetrazole
Conditions | Yield |
---|---|
With perchloric acid at 20℃; for 2h; Alkylation; | 76% |
2,5-dimethyl-2,5-hexanediol
A
2,2,5,5-tetramethyltetrahydrofuran
B
2,5-dimethyl-4-hexen-2-ol
Conditions | Yield |
---|---|
With chloro-trimethyl-silane; dimethyl sulfoxide In benzene at 20℃; for 75h; | A 75% B 21% |
2,5-dimethyl-2,5-hexanediol
hexakis(dimethylamido)ditungsten(III)
W2(μ-2,5-dimethylhexane-2,5-diolate)(η(2)-2,5-dimethylhexane-2,5-diolate)2(dimethylamine)2
Conditions | Yield |
---|---|
In tetrahydrofuran; hexane; toluene byproducts: HNMe2; N2-atmosphere; addn. of excess diol (in THF) to metal compd. (in hexane/PhMe=2:1 v/v) at -10°C, stirring at -10°C for 4 h; vol. reduction (vac.), crystn. (-20°C, 12 h), decantation, washing (cold hexane); elem. anal.; | 75% |
In diethyl ether; hexane -20°C, under N2; elem. anal.; |
Conditions | Yield |
---|---|
With N,N,N,N,-tetramethylethylenediamine; acetic anhydride at 60℃; for 5h; Cooling with ice; | 75% |
2,5-dimethyl-2,5-hexanediol
phenylacetonitrile
A
5-Benzyl-4-isopropylidene-2,2-dimethyl-3,4-dihydro-2H-pyrrole
B
tetrahydrobenzindol
Conditions | Yield |
---|---|
sulfuric acid at 0 - 20℃; for 4h; | A 15% B 72% |
2,5-dimethyl-2,5-hexanediol
Mo2(O-t-Bu)6
Mo2(μ-2,5-dimethylhexane-2,5-diolate)3
Conditions | Yield |
---|---|
In tetrahydrofuran; hexane byproducts: t-BuOH; N2-atmosphere; dropwise addn. of 3 equiv. diol (in THF) to metal compd. (in hexane) over 5 min, stirring at room temp. for 2 d (pptn.); solvent removal (vac.), washing (Et2O at 0°C), dissoln. in PhMe at 60°C, crystn. (-20°C, overnight), collection (filtration), washing (hexane); | 72% |
In not given under N2; elem. anal.; |
2,5-dimethyl-2,5-hexanediol
Sb(OC(CH3)2CH2CH2C(CH3)2O)OC3H7
Conditions | Yield |
---|---|
In benzene byproducts: isopropanol; the mixt. in benzene was refluxed fo 16 h; isopropanol was fractionated out azeotropically, the solvent was removedunder reduced pressure, distilled at 95°C/10 mm ; elem. anal.; | 72% |
2,5-dimethyl-2,5-hexanediol
9H-fluorene
1,1,4,4-tetramethyl-2,2,3,3-tetrahydrobenzo[b]fluorene
Conditions | Yield |
---|---|
aluminium trichloride In dichloromethane 0 deg C, 2 h, then rt, 24 h; | 70% |
The IUPAC name of 2,5-Dimethyl-2,5-hexanediol is 2,5-dimethylhexane-2,5-diol. With the CAS registry number 110-03-2, it is also named as 1,1,4,4-Tetramethyl-1,4-butanediol. The product's categories are Organic Building Blocks; Oxygen Compounds; Polyols. Besides, it is white crystalline flakes, which should be stored in a cool, ventilated warehouse. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes. In addition, its molecular formula is C8H18O2 and molecular weight is 146.23.
The other characteristics of this product can be summarized as: (1)EINECS: 203-731-5; (2)ACD/LogP: 0.37; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.37; (5)ACD/LogD (pH 7.4): 0.37; (6)ACD/BCF (pH 5.5): 1.13; (7)ACD/BCF (pH 7.4): 1.13; (8)ACD/KOC (pH 5.5): 37.89; (9)ACD/KOC (pH 7.4): 37.89; (10)#H bond acceptors: 2; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 5; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 42.11 cm3; (15)Molar Volume: 155.6 cm3; (16)Surface Tension: 33.3 dyne/cm; (17)Density: 0.939 g/cm3; (18)Flash Point: 126.7 °C; (19)Melting Point: 86-90 °C; (20)Enthalpy of Vaporization: 52.5 kJ/mol; (21)Boiling Point: 215.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0328 mmHg at 25 °C.
Preparation of 2,5-Dimethyl-2,5-hexanediol: this chemical can be prepared by Acetylene and Acetone.
This reaction needs reagent by pressurizing ethynylation, condensation and hydrogenation. The reaction can be catalyzed by Raney nickel.
Uses of 2,5-Dimethyl-2,5-hexanediol: this chemical is used as an intermediate in organic synthesis. It can be used for the production of pyrethrins, spices, organic peroxide, artificial musk, crosslinker and polyether rubber. Moreover, it is used to produce 2,5-Dihypochloro-2,5-dimethylhexane.
This reaction needs 5percent Sodium hypochlorite, Acetic acid and CCl4. The yield is 100 %.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C)(CCC(C)(C)O)O
(2)InChI: InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3
(3)InChIKey: ZWNMRZQYWRLGMM-UHFFFAOYSA-N
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