ethylbenzene
A
4-Ethylphenol
B
1-Phenylethanol
C
2-phenylethanol
Conditions | Yield |
---|---|
With rabbit liver microsomal cytochrome P-450 In water at 25℃; for 12h; | A 0.13% B 99.8% C 0.08% |
Conditions | Yield |
---|---|
With W-7 Raney-Nickel In ethanol for 5h; Heating; | 99% |
With sodium hypophosphite monohydrate; 5%-palladium/activated carbon; hypophosphorous acid In water at 20℃; Temperature; Sonication; | 95% |
With potassium fluoride; palladium diacetate; chlorobenzene In tetrahydrofuran; water at 20℃; for 1h; Inert atmosphere; chemoselective reaction; | 86% |
4-Ethylphenol
Conditions | Yield |
---|---|
With hydrogenchloride In diethyl ether at 20℃; for 0.0166667h; | 99% |
Conditions | Yield |
---|---|
With hydrazine hydrate In acetonitrile at 30℃; for 24h; | 99% |
With hydrogen In methanol at 20℃; for 24h; chemoselective reaction; | 93% |
Multi-step reaction with 2 steps 1: 1 percent / Nocardia resting cells / aq. phosphate buffer / 48 h / 28 °C / pH 7.0 / Enzymatic reaction 2: Nocardia resting cells / aq. phosphate buffer / 24 h / 28 °C / pH 7.0 / Enzymatic reaction View Scheme |
4-ethylphenylboronic acid
4-Ethylphenol
Conditions | Yield |
---|---|
With water; dihydrogen peroxide In ethanol at 20℃; for 0.0166667h; Green chemistry; | 98% |
With urea hydrogen peroxide adduct In methanol at 27 - 29℃; for 0.0333333h; Temperature; Solvent; Green chemistry; chemoselective reaction; | 97% |
With dihydrogen peroxide In water at 20℃; for 0.0833333h; | 96% |
4-EtC6H4OTMS
4-Ethylphenol
Conditions | Yield |
---|---|
With methanol; 1,3-disulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0833333h; Green chemistry; | 98% |
With poly (ethylene glycol)-sulfonated sodium montmorillonite nanocomposite In methanol at 20℃; for 0.166667h; | 93% |
With Nanoporous Na+-Montmorillonite Perchloric Acid In ethanol at 20℃; for 0.0833333h; | 90% |
1-ethyl-4-((4-methoxybenzyl)oxy)benzene
4-Ethylphenol
Conditions | Yield |
---|---|
With trichlorophosphate In 1,2-dichloro-ethane at 20℃; for 0.333333h; | 95% |
4-Ethylphenol
Conditions | Yield |
---|---|
With bismuth(III) chloride In water; acetonitrile at 50℃; for 0.75h; | 95% |
2-(4-ethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-Ethylphenol
Conditions | Yield |
---|---|
With [Cu6I2(μ4-I)2(μ4-5-phpymt)2]; triethylamine In water; acetonitrile for 48h; Catalytic behavior; Solvent; Time; UV-irradiation; | 94% |
(Z)-p-coumaric acid
4-Ethylphenol
Conditions | Yield |
---|---|
With isopropyl alcohol; palladium on activated charcoal Heating; | 93% |
With isopropyl alcohol; palladium on activated charcoal Product distribution; Heating; | 93% |
Conditions | Yield |
---|---|
With isopropyl alcohol; palladium on activated charcoal Heating; | 93% |
With isopropyl alcohol; palladium on activated charcoal Product distribution; Heating; | 93% |
tert-butyl 4-ethylphenyl carbonate
4-Ethylphenol
Conditions | Yield |
---|---|
With erbium(III) triflate In ethanol for 25h; Microwave irradiation; | 91% |
Conditions | Yield |
---|---|
With water; palladium on activated charcoal at 250℃; under 30002.4 - 37503 Torr; for 12h; | 89% |
In 1,4-dioxane for 48h; Heating; | |
With isopropyl alcohol; palladium on activated charcoal Product distribution; Heating; |
4-Ethylphenol
Conditions | Yield |
---|---|
With low-loading and alkylated polystyrene-supported-SO3H In water at 40℃; for 24h; | 87% |
Conditions | Yield |
---|---|
With 3.6mol% Au9-Pd alloy nanoparticles supported on Mg-Al-layered double hydroxide (LDH); air In N,N-dimethyl acetamide; 1,3,5-trimethyl-benzene at 130℃; under 760.051 Torr; for 3h; | 84% |
With Pd(OH)x/Ni1Mg2Al1-layered triple hydroxide In N,N-dimethyl acetamide at 150℃; under 760.051 Torr; for 10h; Schlenk technique; Inert atmosphere; | 97 %Chromat. |
Conditions | Yield |
---|---|
With 3.6mol% Au9-Pd alloy nanoparticles supported on Mg-Al-layered double hydroxide (LDH); air In N,N-dimethyl acetamide at 130℃; under 760.051 Torr; for 1.5h; | 83% |
Conditions | Yield |
---|---|
With potassium tert-butylate; sodium hydride In decane at 140℃; for 24h; Glovebox; Sealed tube; | A 83% B n/a |
Conditions | Yield |
---|---|
With isopropyl alcohol for 1.5h; Reflux; | A 17% B 82% |
2,6-di-tert-butyl-4-ethylphenol
A
4-Ethylphenol
B
6-di-t-butyl-4-ethylphenol
Conditions | Yield |
---|---|
at 270℃; for 24h; Product distribution; reaction time 8 h; | A 2 % Chromat. B 78% |
at 270℃; for 24h; | A 2 % Chromat. B 78% |
3,4-dihydroxy-1-vinylcyclohexane
A
4-Ethylphenol
B
4-ethylcyclohexanone
C
4-ethylcatechol
Conditions | Yield |
---|---|
With potassium carbonate; palladium on activated charcoal In water at 300℃; for 10h; Product distribution; other temperature; | A 20% B 2% C 77.1% |
4-Ethylphenol
Conditions | Yield |
---|---|
With copper(I) thiophene-2-carboxylate; [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; water In methanol at 30℃; for 16h; Irradiation; Inert atmosphere; | 72% |
1-[4-[(4-methoxyphenyl)-methoxy]phenyl]ethanone
4-Ethylphenol
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate; sodium cyanoborohydride In tetrahydrofuran for 5h; Heating; | 70% |
Conditions | Yield |
---|---|
With hydrogen bromide; oxygen; copper(ll) bromide In 1,4-dioxane; water at 20℃; for 20h; Sealed tube; | 69% |
Conditions | Yield |
---|---|
With 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate for 2h; Friedel-Crafts Alkylation; Reflux; Inert atmosphere; | 67.8% |
Conditions | Yield |
---|---|
With [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; 1,2-bis(dimethylphosphanyl)ethane; potassium tert-butylate; hydrazine hydrate; dimethyl sulfoxide In tert-butyl alcohol at 100℃; for 24h; Inert atmosphere; Sealed tube; | 65% |
2-(3,5-di-t-butyl-4-hydroxyphenyl)ethanol
A
p-cresol
B
benzofuran-5-ol
C
4-Ethylphenol
D
p-hydroxyphenethyl alcohol
E
1-[4-(2-hydroxyethyl)phenoxy]-2-(4'-hydroxyphenyl)ethane
F
di[2-(4-hydroxyphenyl)]ethyl ether
H
6-tert-butyl-5-hydroxybenzofuran
I
phenol
Conditions | Yield |
---|---|
at 295 - 298℃; for 22h; Inert atmosphere; | A n/a B n/a C n/a D 55% E n/a F 40 g G n/a H n/a I n/a |
Conditions | Yield |
---|---|
With CuCr2O4; dihydrogen peroxide In acetonitrile at 75℃; for 12h; | 51% |
Multi-step reaction with 2 steps 1: Al View Scheme | |
Multi-step reaction with 2 steps 1: Al View Scheme |
p-ethylanisole
A
4-Ethylphenol
B
4-ethylcyclohexanone
C
4-ethyl-2-cyclohexen-1-one
Conditions | Yield |
---|---|
With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium In tetrahydrofuran; ethanol at -30℃; for 2h; | A 44% B 6% C 49% |
Conditions | Yield |
---|---|
With di(rhodium)tetracarbonyl dichloride In dichloromethane at 0 - 20℃; for 24h; Inert atmosphere; | A 45% B 30% |
Conditions | Yield |
---|---|
With bis(acetylacetonate)nickel(II) In tetrahydrofuran; hexane at 0 - 30℃; for 0.25h; Inert atmosphere; Schlenk technique; | A 22 %Spectr. B 35% |
With bis(acetylacetonate)nickel(II); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In tetrahydrofuran; hexane at 0 - 30℃; for 0.25h; Reagent/catalyst; Inert atmosphere; Schlenk technique; | A 45 %Spectr. B 12 %Spectr. |
6-chloronicotinonitrile
4-Ethylphenol
6-(4-ethylphenoxy)nicotinonitrile
Conditions | Yield |
---|---|
With potassium carbonate In DMF (N,N-dimethyl-formamide) at 100℃; for 4h; | 100% |
4-Ethylphenol
di-tert-butyl dicarbonate
tert-butyl 4-ethylphenyl carbonate
Conditions | Yield |
---|---|
With mesoporous silica MCM-41 supported erbium(III) at 40℃; for 1h; Neat (no solvent); ultrasound irradiation; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
With caesium carbonate In acetonitrile | 100% |
With potassium carbonate In acetone for 4h; Reflux; | 86.3% |
With potassium carbonate In N,N-dimethyl-formamide at 20℃; | 78% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane; N,N-dimethyl-formamide at 40℃; for 2h; | 99.5% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane; N,N-dimethyl-formamide at 40℃; for 2h; | 99.1% |
4-Ethylphenol
2,6-dibromo-4-ethylphenol
Conditions | Yield |
---|---|
With bromine In dichloromethane at 0 - 20℃; | 99% |
With ammonium peroxodisulfate; sodium bromide In water at 20℃; for 6h; Irradiation; | 72% |
Multi-step reaction with 2 steps 1: glacial acetic acid; bromine / zuletzt Behandeln auf dem Dampfbad 2: glacial acetic acid; bromine / Behandeln unter Kuehlung View Scheme | |
With bromine In chloroform |
Conditions | Yield |
---|---|
With 1,3-disulfonic acid imidazolium hydrogen sulfate In neat (no solvent) at 20℃; for 0.0166667h; Green chemistry; | 99% |
With 3-methyl-1-sulfonic acid imidazolium hydrogen sulfate at 20℃; for 0.0166667h; Neat (no solvent); | 98% |
With succinimide-N-sulfonic acid In acetonitrile at 20℃; for 0.0166667h; chemoselective reaction; | 98% |
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In acetone for 15h; Heating; | 99% |
Conditions | Yield |
---|---|
Stage #1: 4-Ethylphenol With sodium hydride In tetrahydrofuran Stage #2: 2-bromoallyl bromide In tetrahydrofuran at 60℃; for 16h; Further stages.; | 99% |
Conditions | Yield |
---|---|
With Agaricus bisporus tyrosinase; oxygen; ascorbic acid In water at 20℃; for 24h; pH=7; Na-phosphate buffer; Enzymatic reaction; | 99% |
With oxygen In aq. phosphate buffer; dichloromethane at 25℃; pH=7; Reagent/catalyst; | 85% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 3h; Inert atmosphere; | 99% |
4-Ethylphenol
2,4,4,5,7,7,8,10,10,11,11,12,12,12-Tetradecafluoro-3,6,9-trioxa-2,5,8-tris(trifluoromethyl)dodecanoyl fluoride
Conditions | Yield |
---|---|
With triethylamine In 1,2-dichloro-ethane; N,N-dimethyl-formamide at 50℃; for 2h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With rhodium(III) chloride; 1,3-bis-(diphenylphosphino)propane; sodium carbonate; sodium bromide In 1,4-dioxane at 120℃; under 750.075 Torr; for 24h; Inert atmosphere; chemoselective reaction; | 99% |
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In tetrahydrofuran at 30℃; for 10h; | 98.6% |
With ammonium cerium(IV) nitrate; 1-n-butylpyridinium tetrachloroferrate at 20℃; for 0.533333h; | 77% |
4-Ethylphenol
2-bromo-4-ethylphenol
Conditions | Yield |
---|---|
With bromine In dichloromethane at 0℃; | 98% |
With bromine In dichloromethane at 0℃; for 0.0833333h; | 98% |
With bromine In chloroform at 0℃; for 3h; | 92% |
Conditions | Yield |
---|---|
In acetonitrile | 98% |
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 0℃; for 1h; | 98% |
With pyridine In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere; Schlenk technique; Sealed tube; |
4-Ethylphenol
2-cyano-1-phenylacetylene
(Z)-3-(4-ethylphenoxy)-3-phenylacrylonitrile
Conditions | Yield |
---|---|
With sodium carbonate In N,N-dimethyl-formamide at 20 - 25℃; for 12h; optical yield given as %de; | 98% |
4-Ethylphenol
bis(trichloromethyl) carbonate
4-(ethyl)phenyl chloroformate
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0℃; for 12h; | 98% |
Conditions | Yield |
---|---|
With triethylamine In toluene for 18h; Heating; | 97% |
Conditions | Yield |
---|---|
With triethylamine In toluene for 18h; Heating; | 97% |
Conditions | Yield |
---|---|
Stage #1: 4-Ethylphenol With sodium hydride In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; Stage #2: epichlorohydrin In tetrahydrofuran for 8h; Reflux; Inert atmosphere; | 96.21% |
4-Ethylphenol
5-hydroxy-2,2-dimethylpentyl (3-bromophenyl)-difluoromethanesulfonate
Conditions | Yield |
---|---|
With tributylphosphine; diamide In tetrahydrofuran; dichloromethane at 20℃; for 3h; | 96% |
Conditions | Yield |
---|---|
With (C4H9)3N; tin(IV) chloride In toluene at 100℃; | 96% |
Stage #1: 4-Ethylphenol With triethylamine; magnesium chloride In acetonitrile at 20℃; for 0.25h; Stage #2: formaldehyd In acetonitrile Reflux; | 92% |
Stage #1: 4-Ethylphenol With magnesium methanolate In methanol Stage #2: formaldehyd In methanol; toluene at 95 - 105℃; for 2h; Stage #3: With sulfuric acid In methanol; toluene at 50℃; for 2h; | 80% |
The 4-Ethylphenol, with its CAS registry number 123-07-9, has the systematic name of Phenol, 4-ethyl-. For being a kind of off-white solid, it is stable chemically while incompatible with acid chlorides, acid anhydrides, oxidizing agents. Besides, it is slightly soluble in water, and easily soluble in alcohol, diethyl ether, benzene and carbon disulfide.
The characteristics of this chemical are as follows: (1)ACD/LogP: 2.47; (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): 44.58; (7)ACD/KOC (pH 5.5): 527.86; (8)ACD/KOC (pH 7.4): 527.13; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 37.68 cm3; (15)Molar Volume: 120.6 cm3; (16)Polarizability: 14.93×10-24 cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.012 g/cm3; (19)Flash Point: 100.6 °C; (20)Enthalpy of Vaporization: 47.39 kJ/mol; (21)Boiling Point: 219 °C at 760 mmHg; (22)Vapour Pressure: 0.0828 mmHg at 25°C; (23)Exact Mass: 122.073165; (24)MonoIsotopic Mass: 122.073165; (25)Topological Polar Surface Area: 20.2; (26)Heavy Atom Count: 9; (27)Complexity: 72.6.
Production method of this chemical: 1-(4-hydroxy-phenyl)-ethanone could react to produce 4-ethyl-phenol. This reaction could happen in the presence of the N2H4+H2O and KOH.
Use of this chemical: 4-Ethylphenol could react with sulfuric acid dimethyl ester to produce 4-ethyl-anisole. This reaction could happen in the presence of the reagent of aq. KOH and the solvent of H2O.
When you are dealing with this chemical, you should be very cautious. For one thing, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is corrosive which may destroy living tissue on contact. Therefore, you should wear suitable protective clothing, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCC1=CC=C(C=C1)O
(2)InChI: InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
(3)InChIKey: HXDOZKJGKXYMEW-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 138mg/kg (138mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975. |
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