Conditions | Yield |
---|---|
With palladium 10% on activated carbon; water; hydrazine hydrate In ethanol at 100℃; for 24h; Reagent/catalyst; | 99% |
With [(C6H6)(PCy3)(CO)RuH]+*BF4−; hydrogen; phenol In 1,4-dioxane; isopropyl alcohol at 130℃; under 1520.1 Torr; for 8h; Temperature; Solvent; Inert atmosphere; Glovebox; Schlenk technique; chemoselective reaction; | 94% |
With hydrogenchloride; amalgamated zinc |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride; iron(III)-acetylacetonate; sodium t-butanolate In toluene at 140℃; for 24h; Temperature; Inert atmosphere; | 73% |
With tert-Amyl alcohol; ethylenediamine In tetrahydrofuran at 0 - 5℃; for 24h; Birch reduction; Inert atmosphere; | 58% |
With potassium carbonate at 200℃; |
Conditions | Yield |
---|---|
With hydrogen In Hexadecane at 250℃; under 22502.3 Torr; for 1h; Reagent/catalyst; Inert atmosphere; | A 15.5% B 24.6% |
With hydrogen In Hexadecane at 250℃; under 22801.5 Torr; for 1h; Reagent/catalyst; Autoclave; Overall yield = 67.3 %Chromat.; | A 34.2 %Chromat. B 33.1 %Chromat. |
With hydrogen In Hexadecane at 250℃; under 22801.5 Torr; for 1h; Reagent/catalyst; Autoclave; Overall yield = 60.0 %Chromat.; | A 29.9 %Chromat. B 30.1 %Chromat. |
Conditions | Yield |
---|---|
With zinc(II) chloride In 1,4-dioxane at 100℃; for 12h; Schlenk technique; | 87% |
Conditions | Yield |
---|---|
With water; palladium on activated charcoal at 250℃; under 30002.4 - 37503 Torr; for 14h; | 77% |
Conditions | Yield |
---|---|
With 15-crown-5; sodium; isopropyl alcohol In tetrahydrofuran at 0℃; for 0.0833333h; Birch Reduction; chemoselective reaction; | A 42% B 39% |
With ethanol; sodium | |
With ethanol; sodium | |
With 15-crown-5; sodium In tetrahydrofuran; isopropyl alcohol; mineral oil at 0℃; for 0.0833333h; Inert atmosphere; Overall yield = 75 %; Overall yield = 45 mg; |
Conditions | Yield |
---|---|
With water; palladium on activated charcoal at 250℃; under 30002.4 - 37503 Torr; for 14h; | 70% |
2,3-Dihydrobenzofuran
A
o-Hydroxyethylbenzene
B
ethylbenzene
C
phenol
Conditions | Yield |
---|---|
With O40PW12(3-)*2.5Cs(1+)*0.5H(1+) In tetralin at 20 - 250℃; under 22502.3 Torr; for 1h; Reagent/catalyst; Inert atmosphere; Autoclave; High pressure; Overall yield = 43.4 %; |
1-benzofurane
A
o-Hydroxyethylbenzene
B
2,3-Dihydrobenzofuran
C
methane
D
carbon dioxide
E
carbon monoxide
F
hydrogen
G
phenol
Conditions | Yield |
---|---|
With 1.0%Pt/Al2O3 In methanol at 220℃; under 760.051 Torr; for 24h; Reagent/catalyst; Temperature; Inert atmosphere; |
O-Ethoxycarbonyl-o-acetylphenol
o-Hydroxyethylbenzene
Conditions | Yield |
---|---|
With sodium tetrahydroborate; cerium(III) chloride heptahydrate In ethanol at -5 - 20℃; for 0.666667h; |
ethanol
phenol
A
o-Hydroxyethylbenzene
B
4-Ethylphenol
C
2,5-diethyl phenol
Conditions | Yield |
---|---|
With perrhenic acid anhydride at 320℃; for 6h; Inert atmosphere; Sealed tube; | A 21.4% B 5.1% C 5.5% |
1-benzofurane
A
o-Hydroxyethylbenzene
B
2,3-Dihydrobenzofuran
C
ethyl-cyclohexane
D
methyl cyclohexane
Conditions | Yield |
---|---|
With hydrogen at 300℃; under 22502.3 Torr; |
Conditions | Yield |
---|---|
With tert-Amyl alcohol; ethylenediamine In tetrahydrofuran at 0 - 5℃; for 24h; Birch reduction; Inert atmosphere; | 56% |
With hydrogen iodide Behandeln des gewonnenen Oeles mit Zinkstaub und alkoh. Salzsaeure; | |
With 4,4'-di-tert-butylbiphenyl; water; lithium 1.) THF, 20 deg C, 1.5 h; 2.) THF, -40 deg C to 20 deg C; Yield given. Multistep reaction; |
Conditions | Yield |
---|---|
With [Fe4III(μ-O)2(μ-acetate)6(2,2'-bipyridine)2(H2O)2](NO3-)(OH-); dihydrogen peroxide; acetic acid In water; acetonitrile at 32℃; for 3h; Catalytic behavior; Overall yield = 60 %; | A 6% B 51% |
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 |
With dihydrogen peroxide; copper(II) nitrate In phosphate buffer; acetonitrile at 50℃; for 4h; Oxidation; | |
Stage #1: ethylbenzene With dichloro-acetic acid; C40H68F6MnN4O6S2Si2 Stage #2: With dihydrogen peroxide In water at 0℃; for 0.5h; chemoselective reaction; | A 8 %Chromat. B 26 %Chromat. |
2-ethylphenyl boronic acid
o-Hydroxyethylbenzene
Conditions | Yield |
---|---|
With water; triethylamine In acetonitrile at 20℃; for 36h; Irradiation; | 85% |
Conditions | Yield |
---|---|
Stage #1: ortho-ethylaniline With tetrafluoroboric acid; sodium nitrite In water at 0℃; for 0.75h; Stage #2: pyridine hydrochloride With oxygen In water at 20℃; for 48h; Sealed tube; Irradiation; | 56% |
Conditions | Yield |
---|---|
With cyclohexane; phosphoric acid at 225℃; | |
at 320 - 334℃; | |
With aluminium(III) phenoxide at 280 - 340℃; |
2-(1-hydroxyethyl)phenol
o-Hydroxyethylbenzene
Conditions | Yield |
---|---|
With iron(III) chloride In 1,2-dichloro-ethane at 60℃; for 3h; chemoselective reaction; | 72% |
phenol
A
o-Hydroxyethylbenzene
B
3-ethylphenol
C
carvacrol
D
2,6-diisopropylphenol
E
2,3-Dimethylphenol
F
2-(propen-1-yl)-4-methylphenol
G
2,5-diethyl phenol
H
2-(methylallyl)phenol
Conditions | Yield |
---|---|
With molybdenum(VI) oxide In ethanol at 280℃; for 4h; Inert atmosphere; |
Conditions | Yield |
---|---|
With aluminum oxide; thorium dioxide at 350℃; | |
With aluminum oxide; thorium dioxide at 440 - 460℃; | |
With aluminum oxide at 440℃; under 152000 Torr; |
Conditions | Yield |
---|---|
With aluminum (III) chloride; 2,6-di-tert-butyl-4-methyl-phenol In 1,2-dichloro-benzene at 150℃; for 16h; Inert atmosphere; Sealed tube; | 73% |
Conditions | Yield |
---|---|
With <(PhO)3P>4Ru; potassium phenolate In tetrahydrofuran at 177℃; under 4912.9 Torr; for 3.5h; | A 15 % Chromat. B 85 % Chromat. |
With Et2P(OPh); tris(triphenylphosphine)rhodium(I) chloride In toluene at 120℃; under 22502.3 Torr; for 15h; Product distribution; Further Variations:; Catalysts; Reagents; Temperatures; |
o-Hydroxyethylbenzene
Conditions | Yield |
---|---|
With aluminium(III) iodide In toluene Heating; | 62% |
With aluminium(III) iodide In acetonitrile for 18h; Heating; | 62% |
Conditions | Yield |
---|---|
With sodium hydroxide; copper at 315 - 320℃; |
Conditions | Yield |
---|---|
With aluminum oxide; hydrogen In cis/trans-decahydronaphthalene at 350℃; under 30003 Torr; for 3h; Autoclave; | A 35.1 %Chromat. B 15.1 %Chromat. C 48.7 %Chromat. |
Conditions | Yield |
---|---|
With 1-Methylpyrrolidine; lithium aluminium tetrahydride; zirconocene dichloride In 2-methyltetrahydrofuran at 70℃; for 48h; Inert atmosphere; Schlenk technique; Overall yield = 60 percent; Overall yield = 36.9 mg; |
ethylbenzene
A
o-Hydroxyethylbenzene
B
4-Ethylphenol
C
3-ethylphenol
D
1-Phenylethanol
Conditions | Yield |
---|---|
With ammonium iron (II) sulfate; ethylenediaminetetraacetic acid; oxygen; phosphate buffer; 6,7-dimethyltetrahydropterin In water at 20℃; for 2h; pH=7.4; Further byproducts.; |
o-Hydroxyethylbenzene
Conditions | Yield |
---|---|
With potassium tert-butylate In dimethyl sulfoxide at 20℃; for 2h; | |
With potassium tert-butylate In dimethyl sulfoxide at 20℃; for 1h; | 33 mg |
Conditions | Yield |
---|---|
With hydrogen In dodecane at 300℃; under 37503.8 Torr; for 4h; Autoclave; | A 65 %Chromat. B 6 %Chromat. |
o-Hydroxyethylbenzene
4-bromo-2-ethylphenol
Conditions | Yield |
---|---|
With tetra-N-butylammonium tribromide In chloroform for 0.333333h; | 99% |
With tetra-N-butylammonium tribromide In chloroform for 2h; | 98% |
With tetra-N-butylammonium tribromide In chloroform for 2h; | 98% |
o-Hydroxyethylbenzene
2,4-dibromo-6-ethylphenol
Conditions | Yield |
---|---|
With bromine In methanol at 23℃; for 3h; | 99% |
With oxone; sodium bromide In water; acetonitrile at 50℃; Irradiation; Inert atmosphere; | 76% |
With ammonium peroxodisulfate; sodium bromide In water at 20℃; for 6h; Irradiation; | 69% |
Conditions | Yield |
---|---|
With triethylamine; magnesium chloride In acetonitrile at 20℃; for 17h; Reflux; | 98% |
Stage #1: o-Hydroxyethylbenzene With triethylamine; magnesium chloride In acetonitrile at 20℃; for 0.25h; Stage #2: formaldehyd In acetonitrile Reflux; | 95% |
With triethylamine; magnesium chloride In acetonitrile at 20℃; for 17h; Reflux; | 77% |
o-Hydroxyethylbenzene
N,N-Dimethylcarbamoyl chloride
2-ethylphenyl dimethylcarbamate
Conditions | Yield |
---|---|
Stage #1: o-Hydroxyethylbenzene With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; Inert atmosphere; Stage #2: N,N-Dimethylcarbamoyl chloride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 3h; Inert atmosphere; | 98% |
With potassium carbonate In acetonitrile for 5h; Inert atmosphere; Reflux; | 57% |
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In butanone for 48h; Reflux; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
96% |
o-Hydroxyethylbenzene
N,N-diisopropylcarbamoyl chloride
Conditions | Yield |
---|---|
Stage #1: o-Hydroxyethylbenzene With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.25h; Stage #2: N,N-diisopropylcarbamoyl chloride In tetrahydrofuran; mineral oil at 20℃; for 22h; | 96% |
Conditions | Yield |
---|---|
at 110℃; for 1h; | 95% |
With pyridine In dichloromethane at 0℃; for 4h; |
Conditions | Yield |
---|---|
95% |
Conditions | Yield |
---|---|
With potassium carbonate at 120℃; for 4h; Ullmann Condensation; | 95% |
With caesium carbonate; copper(II) oxide In dimethyl sulfoxide at 110℃; Ullmann coupling; Inert atmosphere; | 54% |
Conditions | Yield |
---|---|
With aluminum (III) chloride Friedel Crafts alkylation; Inert atmosphere; | 95% |
o-Hydroxyethylbenzene
1,1,1,3,3,3-hexamethyl-disilazane
o-Ethylphenyl-trimethylsilylether
Conditions | Yield |
---|---|
With tetrabutylammonium phthalimide-N-oxyl In ethyl acetate for 0.75h; Reflux; | 94% |
Conditions | Yield |
---|---|
With oxygen In water at 25℃; for 2.2h; | 94% |
With cerium(III) chloride In water at 25℃; for 24h; Irradiation; Green chemistry; | 50% |
Conditions | Yield |
---|---|
With basic resin Amberlite IRA-400 (iodide form) In dichloromethane at 20℃; for 0.0833333h; | 93% |
With pyridinium p-toluenesulfonate In dichloromethane at 20℃; for 3h; | 88.8% |
Conditions | Yield |
---|---|
With bromine; sodium bromide In methanol at 0 - 20℃; for 5h; | 93% |
With bromine; sodium bromide In methanol at 0 - 20℃; Cooling with ice; | 93% |
With bromine; sodium bromide In methanol at 0℃; for 3h; Inert atmosphere; | 70% |
Conditions | Yield |
---|---|
With PPA; zinc(II) chloride at 100℃; for 3h; | 92% |
With Lewis acid at 90℃; for 5h; | 81% |
With methanesulfonic acid at 90℃; for 5h; | 81% |
o-Hydroxyethylbenzene
4-(3-methyl-2-oxoimidazolidin-1-yl)benzene-1-sulfonyl chloride
2-ethylphenyl 4-(3-methyl-2-oxoimidazolidin-1-yl)benzenesulfonate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 48h; Inert atmosphere; | 92% |
Conditions | Yield |
---|---|
With 3-mercaptopropionic acid In chlorobenzene at 140℃; for 5h; | 91% |
o-Hydroxyethylbenzene
2-Ethyl-4-nitrophenol
Conditions | Yield |
---|---|
With tetra(n-butyl)ammonium dichromate(VI); sodium nitrite In dichloromethane for 94h; Reflux; chemoselective reaction; | 90% |
With cis-nitrous acid; zinc(II) chloride In ethyl acetate at 0 - 20℃; | 60% |
With ammonium nitrate; trifluoroacetic anhydride In acetonitrile for 6h; Ambient temperature; | 30% |
With ammonium nitrite; trifluoroacetic anhydride In acetonitrile at -10℃; |
Conditions | Yield |
---|---|
In cyclohexane heating suspn. of Ir complex and phenol deriv. in C6H12 at 60°C for 14 h; solv. removed in vac., dissolved in CH2Cl2, washed with 10% aq. NaOH, satd. NH4OH and brine, dried over Na2SO4, solv. removed in vac., chromy. (silica/hexane:Et2O (5:1 to 1:5)); elem. anal.; | 90% |
o-Hydroxyethylbenzene
trifluoromethylsulfonic anhydride
2-ethylphenyl trifluoromethanesulfonate
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0 - 20℃; Inert atmosphere; | 90% |
With pyridine In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere; |
o-Hydroxyethylbenzene
4-Nitrobenzenesulfonyl chloride
2-ethylphenyl 4-nitrobenzenesulfonate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 24h; Inert atmosphere; | 90% |
o-Hydroxyethylbenzene
2-bromo-6-ethyl-phenol
Conditions | Yield |
---|---|
With N-Bromosuccinimide; diisopropylamine In dichloromethane for 16h; Inert atmosphere; Reflux; | 89% |
With N-Bromosuccinimide; diisopropylamine In dichloromethane at -40 - 20℃; | 73% |
With carbon disulfide; N-Bromosuccinimide at 20℃; for 6h; | 70% |
o-Hydroxyethylbenzene
3-monochloro-1,2-propanediol
rac-3-(2-ethylphenoxy)propane-1,2-diol
Conditions | Yield |
---|---|
With sodium hydroxide In N,N-dimethyl-formamide at 210℃; for 0.25h; Microwave irradiation; | 89% |
Stage #1: o-Hydroxyethylbenzene With sodium hydroxide In ethanol; water for 0.5h; Reflux; Stage #2: 3-monochloro-1,2-propanediol In ethanol; water for 3h; Reflux; | 76% |
With sodium hydroxide In ethanol Reflux; |
Conditions | Yield |
---|---|
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 96h; Mitsunobu reaction; | 88% |
o-Hydroxyethylbenzene
2-(4-hydroxy-benzoyl)-benzoic acid
3-(4''-hydroxyphenyl)-3-(3'-ethyl-4'-hydroxyphenyl)phthalide
Conditions | Yield |
---|---|
With sulfuric acid at 5℃; for 0.0333333h; | 87% |
o-Hydroxyethylbenzene
2-ethylphenylsulfamate
Conditions | Yield |
---|---|
With formic acid; isocyanate de chlorosulfonyle In 1-methyl-pyrrolidin-2-one at 20℃; for 3h; | 87% |
Stage #1: o-Hydroxyethylbenzene With sodium hydride In N,N-dimethyl-formamide Inert atmosphere; Stage #2: With sulphamoyl chloride In N,N-dimethyl-formamide at 0 - 23℃; Inert atmosphere; | |
With sulphamoyl chloride In N,N-dimethyl acetamide at 0 - 20℃; for 4h; |
o-Hydroxyethylbenzene
N-(phenylthio)succinimide
N-cinnamyl-4-methylbenzenesulfonamide
Conditions | Yield |
---|---|
With C26H34F3NO3SSe; bis(trifluoromethanesulfonyl)amide In dichloromethane at -78℃; stereoselective reaction; | 87% |
Reported in EPA TSCA Inventory.
DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD
The Phlorol, with the CAS registry number 90-00-6, is also known as 1-Ethyl-2-hydroxybenzene. It belongs to the product categories of Aromatic Phenols; Phenol & Thiophenol & Mercaptan; Phenoles and thiophenoles; Organic Building Blocks; Oxygen Compounds; Phenols; Alpha sort. Its EINECS number is 201-958-4. This chemical's molecular formula is C8H10O and molecular weight is 122.16. What's more, its systematic name is 2-Ethylphenol. Its classification code is Tumor data. This chemical should be sealed and stored in a cool and dry place. It is used in organic synthesis. It is also used as organic synthesis intermediates and chemical reagent.
Physical properties of Phlorol are: (1)ACD/LogP: 2.473; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.64; (6)ACD/BCF (pH 7.4): 44.59; (7)ACD/KOC (pH 5.5): 527.86; (8)ACD/KOC (pH 7.4): 527.16; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 37.684 cm3; (15)Molar Volume: 120.681 cm3; (16)Polarizability: 14.939×10-24cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.012 g/cm3; (19)Flash Point: 78.333 °C; (20)Enthalpy of Vaporization: 45.875 kJ/mol; (21)Boiling Point: 204.519 °C at 760 mmHg; (22)Vapour Pressure: 0.2 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to respiratory system and skin. What's more, it has a risk of serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: CCc1ccccc1O
(2)Std. InChI: InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
(3)Std. InChIKey: IXQGCWUGDFDQMF-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 172mg/kg (172mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975. | |
mouse | LD50 | oral | 600mg/kg (600mg/kg) | Pharmazie. Vol. 30, Pg. 147, 1975. |
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