Conditions | Yield |
---|---|
96.5% |
2,6-diisopropylphenol
Conditions | Yield |
---|---|
With sodium methylate In methanol; dichloromethane at 20℃; for 9h; | 96% |
With hydrogenchloride In 1,4-dioxane for 3h; Product distribution; Heating; deprotection; | 87% |
2,6-diisopropylphenol
Conditions | Yield |
---|---|
With sodium hydroxide In isopropyl alcohol at 20 - 70℃; for 7h; Inert atmosphere; | 94.9% |
2,6-diisopropylphenol
Conditions | Yield |
---|---|
With formaldehyd; water; sodium hydroxide at 0 - 20℃; for 1h; Reagent/catalyst; | 94.7% |
Conditions | Yield |
---|---|
With 1-n-butyl-3-methylimidazolim bromide at 220℃; for 0.666667h; Inert atmosphere; Microwave irradiation; | 94% |
2,6-diisopropylphenol
Conditions | Yield |
---|---|
With sodium hydroxide In tert-butyl alcohol at 20 - 60℃; for 5h; Reagent/catalyst; Temperature; Solvent; Inert atmosphere; | 94% |
3,5-diisopropyl p-hydroxybenzoic acid
2,6-diisopropylphenol
Conditions | Yield |
---|---|
Stage #1: 4-hydroxy-3,5-diisopropylbenzoic acid; sodium hydroxide In ethylene glycol at 140 - 145℃; for 7h; Inert atmosphere; Stage #2: With hydrogenchloride In water; ethylene glycol for 1h; pH=1 - 2; | 93.5% |
With decarboxylase at 25℃; for 15h; pH=6.5; Enzymatic reaction; | 80.3% |
With sodium hydroxide In 2-ethoxy-ethanol at 125 - 130℃; Large scale; | 74% |
Stage #1: 4-hydroxy-3,5-diisopropylbenzoic acid With sodium hydroxide In ethylene glycol at 140 - 145℃; Stage #2: With hydrogenchloride In water; ethylene glycol at 20℃; for 0.5h; pH=1 - 2; | 53 g |
Conditions | Yield |
---|---|
With H-β zeolite at 259.84℃; Kinetics; Catalytic behavior; Reagent/catalyst; Temperature; | 93% |
4-Chloropropofol
2,6-diisopropylphenol
Conditions | Yield |
---|---|
Stage #1: 4-Chloropropofol With hydrogen; sodium hydroxide; 5%-palladium/activated carbon In water at 20 - 25℃; under 2250.23 - 3750.38 Torr; Stage #2: With hydrogenchloride In water | 90% |
Stage #1: 4-Chloropropofol With hydrogen; sodium hydroxide; 5%-palladium/activated carbon In water at 20 - 25℃; under 2250.23 - 3750.38 Torr; Stage #2: With hydrogenchloride In water Product distribution / selectivity; | 90% |
With nickel; benzene Hydrogenation; |
1,3-diisopropyl-2-iodobenzene
2,6-diisopropylphenol
Conditions | Yield |
---|---|
Stage #1: 2-iodo-1,3-diisopropylbenzene With copper(l) iodide; 1,10-Phenanthroline; potassium hydroxide In water; dimethyl sulfoxide at 20 - 100℃; Inert atmosphere; Stage #2: With hydrogenchloride In water; dimethyl sulfoxide at 20℃; Inert atmosphere; | 85% |
Multi-step reaction with 4 steps 1.1: sodium perborate tetrahydrate / 17 h / 20 - 40 °C 2.1: dichloromethane / 20 °C 3.1: sodium hexamethyldisilazane / pentane; toluene / 0.17 h / 0 - 25 °C / Inert atmosphere; Schlenk technique 3.2: 12 h / 0 - 25 °C / Schlenk technique; Inert atmosphere 4.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 3 h / 0 - 25 °C View Scheme |
(2,6-diisopropylphenyl) boronic acid
2,6-diisopropylphenol
Conditions | Yield |
---|---|
With p-benzoquinone; potassium hydroxide In water for 30h; Reflux; Green chemistry; | 75% |
2,6-diisopropylphenyl tert-butyldimethylsilyl ether
2,6-diisopropylphenol
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride In tetrahydrofuran at 0 - 25℃; for 3h; | 72% |
isopropyl alcohol
phenol
A
2-(1-methylethyl)phenol
B
4-Isopropylphenol
C
5-propylphenol
D
2,6-diisopropylphenol
Conditions | Yield |
---|---|
With supercritical water at 399.84℃; for 1h; Kinetics; Further Variations:; Time; | A 57.9% B 2.4% C 6.9% D 5.9% |
2,6-diisopropylphenol
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 2h; | 56% |
2,6-diisopropylbenzenamine
2,6-diisopropylphenol
Conditions | Yield |
---|---|
With uranyl nitrate hydrate; water; trifluoroacetic acid for 48h; Irradiation; Inert atmosphere; | 48% |
Stage #1: 2,6-diisopropylbenzenamine With sulfuric acid; sodium nitrite In water at -5℃; for 0.333333h; Stage #2: In water at 127℃; for 2h; Reagent/catalyst; Temperature; |
isopropyl alcohol
phenol
A
2-(1-methylethyl)phenol
B
4-Isopropylphenol
C
2,6-diisopropylphenol
D
isopropoxybenzene
Conditions | Yield |
---|---|
With HMCM-49/MCM-41 composite at 180℃; under 760.051 Torr; for 1h; Flow reactor; | A 41.6% B 13.3% C n/a D n/a |
isopropyl alcohol
phenol
A
2-(1-methylethyl)phenol
B
4-Isopropylphenol
C
2,6-diisopropylphenol
D
2,4,6-triisopropylphenol
Conditions | Yield |
---|---|
With HMCM-49 at 180℃; under 760.051 Torr; for 1h; Flow reactor; | A 35.5% B 9.4% C n/a D n/a |
propene
aluminium(III) phenoxide
phenol
2,6-diisopropylphenol
Conditions | Yield |
---|---|
at 240℃; under 10297.1 - 25742.8 Torr; | |
at 240℃; under 10297.1 - 25742.8 Torr; reagiert analog mit Anilin in Gegenwart von Aluminiumanilid bei 330grad/40-55at; | |
at 240℃; under 10297.1 - 25742.8 Torr; reagiert analog mit N-Methyl-anilin in Gegenwart von Aluminium-<N-methyl-anilid> bei 235grad/49at; |
Conditions | Yield |
---|---|
With aluminium(III) phenoxide at 220 - 240℃; |
2-(1-methylethyl)phenol
2,4,6-triisopropylphenol
A
2,4-diisopropylphenol
B
2,6-diisopropylphenol
Conditions | Yield |
---|---|
sulfuric acid at 149.9℃; for 268h; Thermodynamic data; Equilibrium constant; Product distribution; other catalyst (AlCl3, AlBr3), temperature, time, ΔHr, ΔSr; |
Conditions | Yield |
---|---|
aluminium trichloride at 149.9℃; for 13h; Thermodynamic data; Equilibrium constant; Product distribution; other catalyst (AlBr3), temperature, time, ΔHr, ΔSr; |
4-Isopropylphenol
isopropyl alcohol
A
2-(1-methylethyl)phenol
B
2,4-diisopropylphenol
C
2,6-diisopropylphenol
D
2,4,6-triisopropylphenol
E
2,5-Diisopropylphenol
Conditions | Yield |
---|---|
Houdry HA-100 alumina at 300℃; Product distribution; Mechanism; |
isopropyl alcohol
phenol
A
2-(1-methylethyl)phenol
B
4-Isopropylphenol
C
2,4-diisopropylphenol
D
2,6-diisopropylphenol
E
3-isopropylhydroxybenzene
F
2,5-Diisopropylphenol
Conditions | Yield |
---|---|
Houdry HA-100 alumina at 350℃; Product distribution; Mechanism; other substrates; other temperatures and concentrations; | A 22.6 % Chromat. B n/a C 9.2 % Chromat. D 6.4 % Chromat. E n/a F 8.1 % Chromat. |
propene
phenol
A
2,4-diisopropylphenol
B
2,6-diisopropylphenol
Conditions | Yield |
---|---|
at 110℃; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: H2SO4 2: Raney nickel; benzene / Hydrogenation View Scheme |
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; water |
Conditions | Yield |
---|---|
With acetic acid In ethanol; palladium |
Conditions | Yield |
---|---|
With C24H13Cu2F9N4O7; oxygen In isopropyl alcohol at 90℃; under 760.051 Torr; for 12h; | 100% |
With Cu2(ophen)2 In methanol at 28℃; for 10h; | 100% |
With oxygen In chloroform at 49.84℃; under 760.051 Torr; for 24h; Green chemistry; regioselective reaction; | 97% |
Conditions | Yield |
---|---|
In dichloromethane room temp.; | 100% |
With triethylamine In diethyl ether byproducts: HN(C2H5)3Cl; dissolution of Ti-complex in Et2O, addn. of alcohol, stirring for ca. 2 min, dropwise addn. of NEt3, immediate ppt., stirring overnight under Ar; filtn. (in-line glass sinter), washing with Et2O, combining washings with filtrate, removal of solvent in vacuo, recrystn. from n-hexane; | 70% |
2,6-diisopropylphenol
bromoacetic acid methyl ester
methyl 2-(2,6-diisopropylphenoxy)acetate
Conditions | Yield |
---|---|
With caesium carbonate In acetonitrile for 16h; Reflux; | 100% |
Conditions | Yield |
---|---|
With bis(trichloromethyl) carbonate; tetrabutylammomium bromide; potassium bromide In water; ethyl acetate at 20℃; for 19h; regioselective reaction; | 99% |
With bromine; acetic acid at 20℃; for 1h; | 98.6% |
With bromine In acetic acid at 20℃; for 1h; | 94% |
Conditions | Yield |
---|---|
Stage #1: 2,6-diisopropylphenol With oxygen In tert-butyl alcohol at 70℃; under 760.051 Torr; for 18h; Green chemistry; Stage #2: With hydrogen In tert-butyl alcohol at 60℃; under 760.051 Torr; for 4h; Green chemistry; | 99% |
With CuCl(OH)*TMEDA In dichloromethane at 20℃; for 5h; | 95% |
Stage #1: 2,6-diisopropylphenol In dichloromethane at 20℃; for 5h; Stage #2: With sodium dithionite In ethanol for 0.333333h; Heating; | 95% |
2,6-diisopropylphenol
di-tert-butyl dicarbonate
Conditions | Yield |
---|---|
With dmap In dichloromethane at 20℃; | 99% |
With dmap In hexane for 0.5h; | 95% |
With PNIPAM-bound 4-dialkylaminopyridine-methyl red terpolymer In dichloromethane at 25℃; | 93% |
With 6,7-dimethoxyisoquinoline In dichloromethane at 20℃; for 10h; Inert atmosphere; chemoselective reaction; | 73% |
With dmap In tetrahydrofuran at -5 - 20℃; under 760.051 Torr; for 3h; |
2,6-diisopropylphenol
1,1'-carbonyldiimidazole
2,6-diisopropyl 1H-imidazole-1-carboxylate
Conditions | Yield |
---|---|
In dichloromethane for 24h; Heating; | 99% |
In dichloromethane for 5h; Heating; | 97% |
2,6-diisopropylphenol
titanium tetrachloride
bis(2,6-diisopropylphenolato)titanium(IV) dichloride
Conditions | Yield |
---|---|
In tetrachloromethane byproducts: HCl; refluxing (3.5 h); evapn. (reduced pressure); elem. anal.; | 99% |
In hexane at 0 - 20℃; for 16h; | 63% |
In benzene byproducts: HCl; moisture free atmosphere; stoichiometric amounts; reflux till the evolution of HCl ceased;; removal of the volatiles under reduced pressure;; | |
In toluene byproducts: HCl; N2, vigorously refluxed for 13 h; cooled, filtered, solvent removed, dried (vac., several h); |
tetrahydrofuran
2,6-diisopropylphenol
sodium hydride
(THF)La(O-2,6-i-Pr2C6H3)2(μ-O-2,6-i-Pr2C6H3)2Na(THF)2
Conditions | Yield |
---|---|
In tetrahydrofuran; toluene Ar-atmosphere; addn. of La-compd. (in PhMe) to mixt. of diisopropylphenol and NaH (in THF) with stirring, stirring for 72 h at room temp.; filtration (Celite), removal of volatiles (vac.), washing (hexane), extn. into PhMe, filtration (Celite), vol. reduction (vac.), crystn. (-40°C, overnight); elem. anal.; | 99% |
2,6-diisopropylphenol
propargyl bromide
1,3-diisopropyl-2-(prop-2-yn-1-yloxy)benzene
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 16h; | 99% |
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 24h; | 86% |
Conditions | Yield |
---|---|
With palladium diacetate; triphenylphosphine; benzoic acid In tetrahydrofuran at -40 - 80℃; under 15001.5 Torr; Autoclave; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With triethylamine In 1,2-dichloro-ethane at 0 - 5℃; for 2h; Reagent/catalyst; Green chemistry; | 98.5% |
2,6-diisopropylphenol
hexamethylenetetramine
3,5-diisopropyl-4-hydroxybenzaldehyde
Conditions | Yield |
---|---|
Stage #1: 2,6-diisopropylphenol; hexamethylenetetramine With trifluoroacetic acid at 90℃; for 12h; Inert atmosphere; Stage #2: With hydrogenchloride at 80℃; for 3h; Inert atmosphere; | 98% |
With acetic acid In water for 2.58333h; Reflux; | 97% |
With acetic acid In water for 6h; Reflux; | 89% |
2,6-diisopropylphenol
Conditions | Yield |
---|---|
With pyridine; tetrachlorosilane In benzene 1.) RT, 12 h, 2.) reflux, 1 h; | 98% |
phthalic anhydride
2,6-diisopropylphenol
3,3-bis-(4-hydroxy-3,5-diisopropylphenyl)-1-(3H)-isobenzofuranone
Conditions | Yield |
---|---|
With PPA; zinc(II) chloride at 100℃; for 3h; Product distribution / selectivity; | 98% |
With Lewis acid at 90℃; for 5h; Product distribution / selectivity; | 89% |
With methanesulfonic acid at 90℃; for 5h; | 89% |
Conditions | Yield |
---|---|
In hexane at -30 - 25℃; for 12h; Inert atmosphere; | 98% |
2,6-diisopropylphenol
2,6-diisopropylcyclohexanol
Conditions | Yield |
---|---|
With hydrogen; nickel at 39℃; under 76000 Torr; for 104h; | 97% |
With hydrogen; nickel at 104℃; under 72960 - 82080 Torr; for 39h; | 97% |
With hydrogen under 38002.6 Torr; | 70% |
With nickel at 200℃; under 75021.8 Torr; Hydrogenation; |
Conditions | Yield |
---|---|
With pyridine In benzene 1.) RT, 12 h, 2.) reflux, 1 h; | 97% |
2,6-diisopropylphenol
2-methoxy-6-((E)-prop-1-enyl)benzoic acid
2-Methoxy-6-((E)-propenyl)-benzoic acid 2,6-diisopropyl-phenyl ester
Conditions | Yield |
---|---|
With trifluoroacetic anhydride In benzene at 20℃; for 24h; | 97% |
2,6-diisopropylphenol
ethyl bromoacetate
ethyl 2,6-diisopropylphenoxyacetate
Conditions | Yield |
---|---|
In water; N,N-dimethyl-formamide | 96.1% |
With potassium carbonate In N,N-dimethyl-formamide |
N-Boc-gabapentin
2,6-diisopropylphenol
Conditions | Yield |
---|---|
With dmap; dicyclohexyl-carbodiimide In toluene at 90℃; for 14h; | 96% |
η5-pentamethylcyclopentadienyl(1,2,3,4-tetramethylfulven)ruthenium tetrafluoroborate
2,6-diisopropylphenol
(2,6-diisopropylphenoxymethyl)nonamethylruthenocene
Conditions | Yield |
---|---|
In dichloromethane to soln. of Ru complex in CH2Cl2 added 2,6-diisopropylphenol, stirred overnight at room temp.; evapd., washed with aq. soln. of KOH, dried, recrystd. from hexane; elem. anal.; | 96% |
tetrahydrofuran
tris(bis(trimethylsilylamido))cerium(III)
2,6-diisopropylphenol
[Ce(2,6-diisopropylphenol(-H))3(tetrahydrofuran)3]
Conditions | Yield |
---|---|
In tetrahydrofuran; toluene byproducts: HN(Si(CH3)3)2; under inert atm., Schlenk techniques; soln. of Ce compd. (0.36 mmol) andalcohol (1.1 mmol) stirred for 12 h; concd., crystd. on cooling to -25°C, elem. anal.; | 96% |
2,6-diisopropylphenol
A
3,3',5,5'-tetraisopropyldiphenoquinone
B
3,3',5,5'-tetraisopropyl-[1,1'-biphenyl]-4,4'-diol
C
Acetic acid 4-hydroxy-3,5-diisopropyl-phenyl ester
Conditions | Yield |
---|---|
With manganese triacetate In acetic acid at 100℃; for 0.0833333h; | A 95% B 1% C 1% |
Conditions | Yield |
---|---|
at 160℃; for 20h; | 95% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 24h; Heating; | 95% |
2,6-diisopropylphenol
Conditions | Yield |
---|---|
In dichloromethane under N2 atm. Mo complex and 2,6-diisopropylphenol in pentane was stirred at room temp. for 12 h; solvent was removed in vacuo, residue was dissolved in pentane and stored at -20°C; elem. anal.; | 95% |
In not given byproducts: C(CH3)4; benzene or toluene, 22°C, up to 24 h; |
IUPAC Name: 2,6-Di(propan-2-yl)phenol
Molecular Formula: C12H18O
Molecular Weight: 178.27 g/mol
Canonical SMILES: c1(c(c(C(C)C)ccc1)O)C(C)C
InChI: InChI=1/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3
EINECS: 218-206-6
Classification Code: Anesthetic; Anesthetics; Anesthetics, General; Anesthetics, intravenous; Central Nervous System Agents; Central Nervous System Depressants; Drug / Therapeutic Agent; Human Data; Hypnotics and Sedatives; Reproductive Effect
Product Categories: Heterocyclic Compounds; Intermediates & Fine Chemicals; Pharmaceuticals; GABA/Glycine receptor; GABA
Melting Point : 18 °C(lit.)
Molar Volume: 188 cm3
Polarizability: 22.4×10-24 cm3
Surface Tension: 33.5 dyne/cm
Density: 0.948 g/cm3
Flash Point: 107.5 °C
Enthalpy of Vaporization: 51.34 kJ/mol
Boiling Point: 256 °C at 760 mmHg
Storage temperature: 0-6 °C
Melting Point: 18 °C(lit.)
Water Solubility: 124 mg/L at 25 °C
Vapour Pressure of Propofol (CAS NO.2078-54-8): 3.05E-03 mm Hg at 25 °C
Propofol (CAS NO.2078-54-8) is used as a anesthetic used in veterinary medicine.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | intravenous | 30mg/kg (30mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 38, Pg. 1117, 1996. | |
man | LDLo | intravenous | 386mg/kg/14D- (386mg/kg) | LUNGS, THORAX, OR RESPIRATION: PLEURAL THICKENING | Critical Care Medicine. Vol. 23, Pg. 1928, 1995. |
man | TDLo | unreported | 2857ug/kg/1D- (2.857mg/kg) | BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: REGIDITY BEHAVIORAL: IRRITABILITY | Anaesthesia. Vol. 43, Pg. 170, 1988. |
mouse | LD50 | intraperitoneal | 170mg/kg (170mg/kg) | Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 201, 1960. | |
mouse | LD50 | intravenous | 50mg/kg (50mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: ANALGESIA BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) | Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980. |
mouse | LD50 | oral | 1100mg/kg (1100mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995. | |
rabbit | LDLo | intravenous | 20mg/kg (20mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: SLEEP BEHAVIORAL: MUSCLE WEAKNESS | Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980. |
rat | LD50 | intravenous | 42mg/kg (42mg/kg) | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 21, Pg. 11, 1993. | |
rat | LD50 | oral | 500mg/kg (500mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 26, Pg. 953, 1995. |
Reported in EPA TSCA Inventory.
Poison by intravenous and intraperitoneal routes. Experimental reproductive effects. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also PHENOL.
Hazard Codes: Xn
Risk Statements: 22-36/37/38-20/21/22
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39-37/39-36
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.
S37/39: Wear suitable gloves and eye/face protection.
S36: Wear suitable protective clothing.
RIDADR: 2810
WGK Germany: 3
HazardClass: 6.1(b)
PackingGroup of Propofol (CAS NO.2078-54-8): III
ASSAY: 98.0 - 102.0% (titration)
WATER: 0.2% max
CHLORIDE: 300ppm max
IMPURITY: 0.3% max (total impurity); 0.2% max (individual impurity)
SOLVENT RESIDUE: 0.1% max
Propofol (CAS NO.2078-54-8), its Synonyms are Disoprofol ; Phenol, 2,6-bis(1-methylethyl)- ; Phenol, 2,6-diisopropyl- ; 2,6-Bis(1-methylethyl)phenol ; 2,6-Diisopropylphenol ; Ampofol ; Aquafo ; Diprivan Injectable emulsion ; Propofol-lipuro ; Propofolum and so on. It is light yellow liquid.
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