Conditions | Yield |
---|---|
With 1-n-butyl-3-methylimidazolim bromide at 200 - 220℃; for 0.5h; Microwave irradiation; Inert atmosphere; | 99% |
With hydrogen iodide |
Conditions | Yield |
---|---|
With 1-n-butyl-3-methylimidazolim bromide at 220℃; for 0.666667h; Inert atmosphere; Microwave irradiation; | 98% |
With trimethylsilyl iodide at 105 - 114℃; for 0.25h; Microwave irradiation; Inert atmosphere; | 92% |
With tetrachlorosilane; borontrifluoride acetic acid; lithium iodide In toluene; acetonitrile at 70℃; for 10h; | 89% |
With hydrogen iodide |
Conditions | Yield |
---|---|
With ammonium bicarbonate In water at 20℃; for 2h; Schlenk technique; | 97% |
(4-isopropylphenoxy)trimethylsilane
4-Isopropylphenol
Conditions | Yield |
---|---|
With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0666667h; Green chemistry; | 96% |
With poly (ethylene glycol)-sulfonated sodium montmorillonite nanocomposite In methanol at 20℃; for 0.166667h; | 91% |
4-propoxycumene
4-Isopropylphenol
Conditions | Yield |
---|---|
With 1-n-butyl-3-methylimidazolim bromide at 200 - 220℃; for 0.5h; Microwave irradiation; Inert atmosphere; | 96% |
(4-isopropylphenyl)boronic acid
4-Isopropylphenol
Conditions | Yield |
---|---|
With dihydrogen peroxide In ethanol at 20℃; for 0.166667h; | 96% |
With iron(III) oxide; oxygen In tetrahydrofuran Irradiation; | 95% |
With iron(III) oxide; oxygen In tetrahydrofuran at 20℃; Irradiation; | 95% |
[2-(4-isopropylphenoxy)ethyl]trimethylsilane
4-Isopropylphenol
Conditions | Yield |
---|---|
Stage #1: [2-(4-isopropylphenoxy)ethyl]trimethylsilane With cesium fluoride In N,N-dimethyl-formamide at 60℃; for 1h; Inert atmosphere; Stage #2: With water In N,N-dimethyl-formamide Inert atmosphere; | 88% |
4-isopropylphenyl lithium
4-Isopropylphenol
Conditions | Yield |
---|---|
With titanium(IV) isopropylate; tert.-butylhydroperoxide In diethyl ether at -78℃; for 12h; | 80% |
4-Isopropylphenol
Conditions | Yield |
---|---|
With sodium hydride; bis(pinacol)diborane In 1,2-dichloro-ethane at 70℃; for 12h; Inert atmosphere; | 77% |
Conditions | Yield |
---|---|
Stage #1: (1R,5R)-(+)-β-pinene With ozone In methanol Stage #2: With iron(III) chloride hexahydrate In methanol at 60℃; for 2h; | A 15% B 70% |
(-)-menthol
phenol
A
2-(1-methylethyl)phenol
B
4-Isopropylphenol
C
isopropoxybenzene
D
3-isopropylhydroxybenzene
Conditions | Yield |
---|---|
at 120℃; for 15h; | A 64% B 23% C 10% D 3% |
Conditions | Yield |
---|---|
Stage #1: 1,4-bis(1-methylethyl)benzene With N-hydroxyphthalimide; 2,2'-azobis(isobutyronitrile); oxygen In acetonitrile at 75℃; under 760.051 Torr; for 20h; Stage #2: With sulfuric acid In acetonitrile at 75℃; for 4h; Further stages.; | A 33% B 61% |
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% |
A
4-Isopropylphenol
B
1-(allyloxy)-4-isopropylbenzene
C
2-allyl-4-isopropylphenol
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0) In toluene at 110℃; for 0.5h; Inert atmosphere; | A 44% B 8% C 48% |
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 |
(-)-menthol
phenol
A
2-(1-methylethyl)phenol
B
4-Isopropylphenol
C
3-isopropylhydroxybenzene
Conditions | Yield |
---|---|
at 160℃; for 15h; | A 37% B 26% C 37% |
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 |
(4-isopropylbenzyl)trimethylsilane
4-Isopropylphenol
Conditions | Yield |
---|---|
With sodium persulfate; oxygen In acetonitrile at 55℃; for 20h; | 33% |
Isopropylbenzene
A
2-(1-methylethyl)phenol
B
4-Isopropylphenol
C
1-methyl-1-phenylethyl alcohol
D
3-isopropylhydroxybenzene
Conditions | Yield |
---|---|
With pyridine-2-carbaldehyde; 2-(Aminomethyl)pyridine; iron(II) trifluoromethanesulfonate acetonitrile disolvate; dihydrogen peroxide In acetonitrile at 25℃; for 1.5h; chemoselective reaction; | A 7% B n/a C 6% D n/a |
With VO(O2)(picolinato)(H2O)2 In acetonitrile at 20℃; Product distribution; Mechanism; |
Conditions | Yield |
---|---|
bei der Destillation; | |
With palladium on activated charcoal | |
With copper oxide-chromium oxide; hydrogen at 220 - 230℃; under 132391 Torr; |
Conditions | Yield |
---|---|
Hydrogenolyse; | |
at 160℃; under 7600 - 15200 Torr; Hydrogenation.in Gegenwart eines wismuthaltigen Nickel-, Kobalt- oder Kupfer-Katalysators; |
Conditions | Yield |
---|---|
With dihydroxodifluoroboric acid bei Siedetemperatur; | |
With aluminium trichloride |
Conditions | Yield |
---|---|
With sulfuric acid; sodium nitrite Erwaermen der erhaltenen Diazoniumsalz-Loesung auf 50-60grad; | |
via p-cumenediazonium salt; Multistep reaction; | |
With sulfuric acid; sodium nitrite Erwaermen der erhaltenen Diazoniumsalz-Loesung auf 50-60grad; |
2-hydroxy-5-isopropylbenzoic acid
4-Isopropylphenol
Conditions | Yield |
---|---|
With hydrogenchloride at 180℃; |
Conditions | Yield |
---|---|
With sulfuric acid | |
With sulfuric acid |
Conditions | Yield |
---|---|
With aluminium trichloride anschliessendes Behandeln mit H2O; |
isopropyl alcohol
phenol
A
2-(1-methylethyl)phenol
B
4-Isopropylphenol
Conditions | Yield |
---|---|
With phosphoric acid at 95 - 130℃; | |
With iron(III) chloride at 120 - 130℃; | |
With boron trifluoride |
Conditions | Yield |
---|---|
With boron trifluoride | |
With aluminium trichloride; Petroleum ether at 110 - 120℃; | |
With iron(III) chloride at 120 - 130℃; |
Conditions | Yield |
---|---|
With hydrogenation catalyst at 220 - 230℃; |
Conditions | Yield |
---|---|
With boron trifluoride | |
With phosphoric acid at 95 - 130℃; | |
With boric acid Erhitzen des Reaktionsprodukts mit wenig H2SO4 und anschliessend mit H2O; |
Conditions | Yield |
---|---|
With caesium carbonate In acetonitrile | 100% |
With potassium carbonate In N,N-dimethyl-formamide at 0 - 20℃; Inert atmosphere; | 92% |
With potassium carbonate In acetone for 4h; Reflux; | 80.3% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 12h; Reflux; Sealed tube; | 100% |
Stage #1: 4-Isopropylphenol With potassium carbonate In N,N-dimethyl-formamide for 2h; Inert atmosphere; Stage #2: benzyl bromide In N,N-dimethyl-formamide at 60℃; for 12h; | |
With tetra-(n-butyl)ammonium iodide; potassium hydroxide In acetonitrile for 2h; | |
With tetra-(n-butyl)ammonium iodide; potassium hydroxide In acetonitrile for 1h; Cooling; |
2-chloro-5-nitropyridine
4-Isopropylphenol
2-(4-isopropylphenoxy)-5-nitropyridine
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 24h; | 99% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 24h; | 99% |
With sodium hydroxide; tetrabutyl-ammonium chloride In water; benzene at 56℃; for 0.25h; | 71% |
4-Isopropylphenol
thianthrene cation radical perchlorate
Conditions | Yield |
---|---|
In acetonitrile for 18h; | 99% |
4-Isopropylphenol
Phenyl glycidyl ether
1-(4'-isopropylphenoxy)-3-phenoxypropan-2-ol
Conditions | Yield |
---|---|
With 2-tert-butylimino-2-diethylamino-1,3-dimethylperhydro-1,3,2-diazaphosphorine supported on polystyrene (PS-BEMP; PS = 200-400 mesh polystyryl with 2percent of divinylbenzene) at 60℃; for 18h; Neat (no solvent); regioselective reaction; | 99% |
With 1,4-bis(4-vinylphenoxy)benzene crosslinked polystyrene functionalized with 1,5,7-triazabicyclo[4.4.0]dec-5-ene In neat (no solvent) at 60℃; for 18h; Reagent/catalyst; Green chemistry; |
4-Isopropylphenol
2-cyano-1-phenylacetylene
(Z)-3-(4-isopropylphenoxy)-3-phenylacrylonitrile
Conditions | Yield |
---|---|
With sodium carbonate In N,N-dimethyl-formamide at 20 - 25℃; for 12h; optical yield given as %de; | 99% |
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl-formamide at 80℃; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With hydrogen In dodecane at 200℃; under 15001.5 Torr; for 2h; | 98.2% |
Conditions | Yield |
---|---|
With potassium carbonate In acetone Heating; | 98% |
Stage #1: 4-Isopropylphenol With potassium carbonate In acetone Stage #2: methyl iodide In acetone Further stages.; | 98% |
With sodium hexamethyldisilazane In tetrahydrofuran at 20℃; for 23h; Inert atmosphere; | 83% |
4-Isopropylphenol
2-iodo-4-(1-methylethyl)phenol
Conditions | Yield |
---|---|
With N-iodo-succinimide; toluene-4-sulfonic acid In dichloromethane at 20℃; | 98% |
Stage #1: 4-Isopropylphenol With ammonium iodide In methanol at 0℃; for 0.0333333h; Stage #2: With potassium phosphate In methanol for 0.0833333h; | 90% |
With N-iodo-succinimide In various solvent(s) at 27℃; for 0.666667h; | 89% |
4-Isopropylphenol
1,1,1,3,3,3-hexamethyl-disilazane
(4-isopropylphenoxy)trimethylsilane
Conditions | Yield |
---|---|
With 3-methyl-1-sulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0333333h; Neat (no solvent); | 98% |
With succinimide-N-sulfonic acid In acetonitrile at 20℃; for 0.0333333h; chemoselective reaction; | 98% |
With 1,3-disulfonic acid imidazolium hydrogen sulfate In neat (no solvent) at 20℃; for 0.0333333h; Green chemistry; | 98% |
4-Isopropylphenol
ortho-nitrofluorobenzene
1-(4-isopropylphenoxy)-2-nitrobenzene
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 3h; Inert atmosphere; | 98% |
Stage #1: 4-Isopropylphenol With potassium tert-butylate In tetrahydrofuran for 1h; Stage #2: ortho-nitrofluorobenzene In tetrahydrofuran |
4-Isopropylphenol
ethyl bromoacetate
(4-isopropylphenyl)acetic acid ethyl ester
Conditions | Yield |
---|---|
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 20℃; for 48h; | 98% |
4-Isopropylphenol
(E)-1-Bromo-2-butene
(E)-1-(but-2-en-1-yloxy)-4-isopropylbenzene
Conditions | Yield |
---|---|
With potassium carbonate In acetone for 6h; Heating; | 97% |
4-Isopropylphenol
C18H20O3
Conditions | Yield |
---|---|
With tetrakis(actonitrile)copper(I) hexafluorophosphate; N,N'-di-tert-butylethylenediamine; oxygen In dichloromethane at 20 - 23℃; under 760.051 Torr; for 4h; | 97% |
With tetrakis(actonitrile)copper(I) hexafluorophosphate; N,N'-di-tert-butylethylenediamine; oxygen In dichloromethane at 23℃; under 760.051 Torr; for 4h; Reagent/catalyst; | 92% |
With N,N'-di-tert-butylethylenediamine; oxygen; copper(II) acetate monohydrate In dichloromethane at 25℃; under 1520.1 Torr; for 4h; Catalytic behavior; Glovebox; | 87% |
4-Isopropylphenol
2-(diethylamino)ethyl chloride
1-(2-Diethylaminoethoxy)-4-isopropyl-benzol
Conditions | Yield |
---|---|
96% |
4-Isopropylphenol
Conditions | Yield |
---|---|
With palladium diacetate; tert-butyl XPhos In toluene at 100 - 110℃; for 7h; Inert atmosphere; | 96% |
Conditions | Yield |
---|---|
With nitric acid; copper(II) nitrate In water at 20 - 25℃; for 2h; | 95.1% |
With Eu-Mo-modified montmorillonite HKSF; nitric acid In tetrahydrofuran at 20℃; for 12h; | 87% |
With nitrourea; silica-gel-supported sulfuric acid In dichloromethane at 20℃; for 3.83333h; regioselective reaction; | 77% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 14h; Alkylation; | 95% |
Conditions | Yield |
---|---|
With rice husk ash at 80℃; for 0.25h; Green chemistry; | 95% |
With rice-husk-supported FeCl3 nano particles In neat (no solvent) at 80℃; for 1h; | 93% |
With H3[P(Mo3O10)4]*nH2O at 20℃; for 0.05h; | 87% |
Conditions | Yield |
---|---|
With triethylamine; magnesium chloride In acetonitrile at 70℃; for 2h; | 95% |
With magnesia In neat (no solvent) for 0.283333h; Microwave irradiation; regioselective reaction; | 75% |
With triethylamine; magnesium chloride In tetrahydrofuran for 6h; Reflux; | 75% |
Conditions | Yield |
---|---|
With sulfuric acid; acetic acid at 40℃; for 24h; Inert atmosphere; | 95% |
With sulfuric acid at 20℃; for 1h; Inert atmosphere; | 42% |
Conditions | Yield |
---|---|
With copper(l) iodide; caesium carbonate In 1-methyl-pyrrolidin-2-one at 160℃; for 24h; Inert atmosphere; Schlenk technique; | 95% |
4-Isopropylphenol
iodobenzene
carbon monoxide
4-isopropylphenyl benzoate
Conditions | Yield |
---|---|
With dicarbonyl(acetylacotonato)rhodium(I); triethylamine; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In toluene at 120℃; for 48h; Inert atmosphere; Autoclave; Schlenk technique; | 95% |
With palladium diacetate; potassium carbonate at 100℃; under 5250.53 Torr; for 3h; Catalytic behavior; | 50 %Chromat. |
The IUPAC name of p-Isopropylphenol is 4-propan-2-ylphenol. With the CAS registry number 99-89-8, it is also named as 1-Hydroxy-4-isopropylbenzene. It is white to beige crystalline solid which is slightly soluble in water, soluble in ethanol and ethyl ether. In addition, thischemical is toxic and flammable. When heated to decomposition it emits acrid smoke and fumes. So the storage environment should be ventilate, low-temperature and dry. Keep p-Isopropylphenol separate from oxidant.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 81.99; (6)ACD/BCF (pH 7.4): 81.86; (7)ACD/KOC (pH 5.5): 815.63; (8)ACD/KOC (pH 7.4): 814.34; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 42.31 cm3; (14)Molar Volume: 137.9 cm3; (15)Polarizability: 16.77×10-24 cm3; (16)Surface Tension: 35.7 dyne/cm; (17)Enthalpy of Vaporization: 46.3 kJ/mol; (18)Vapour Pressure: 0.147 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 2; (21)Exact Mass: 136.088815; (22)MonoIsotopic Mass: 136.088815; (23)Topological Polar Surface Area: 20.2; (24)Heavy Atom Count: 10; (25)Complexity: 90.9.
Preparation of p-Isopropylphenol: It can be obtained by C9H11Li. This reaction needs reagent tBuOOH and Ti(OiPr)4 and solvent diethyl ether at temperature of -78 °C. The reaction time is 12 hours. The yield is 80%.
Uses of p-Isopropylphenol: It is used in organic synthesis. For example: it can react with trichloromethane to get 2-hydroxy-5-isopropyl-benzaldehyde. This reaction which is Reimer-Tiemann reaction needs reagent sodium hydroxide and solvent ethanol and H2O at temperature of 70 °C.
When you are using this chemical, please be cautious about it as the following:
It is not only harmful if swallowed, but also harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It may cause sensitization by skin contact and may cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) And people should avoid release it to the environment.
People can use the following data to convert to the molecule structure.
1. SMILES:Oc1ccc(cc1)C(C)C
2. InChI:InChI=1/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 40mg/kg (40mg/kg) | BEHAVIORAL: SLEEP | Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980. |
mouse | LD50 | oral | 875mg/kg (875mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(1), Pg. 94, 1981. | |
mouse | LDLo | intraperitoneal | 250mg/kg (250mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 339, 1953. |
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