4-(2-methoxyethyl)phenol
epichlorohydrin
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
With sodium hydroxide at 85 - 90℃; pH=8; Temperature; pH-value; Flow reactor; | 95.2% |
With sodium hydroxide at 90 - 115℃; under 1500.15 - 2250.23 Torr; pH=9; Flow reactor; | 95.2% |
With sodium hydroxide In water at 40 - 45℃; for 3 - 5h; | 93% |
4-(2-methoxyethyl)phenol
epichlorohydrin
A
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
B
(+/-)-1-[4-(2-methoxyethyl)phenoxy]-3-chloro-2-propanol
Conditions | Yield |
---|---|
With sodium hydroxide | A 90% B 10% |
Stage #1: 4-(2-methoxyethyl)phenol With potassium hydroxide In methanol at 40 - 45℃; for 1h; Stage #2: epichlorohydrin at 40℃; for 24h; | |
With sodium hydroxide In water at 30 - 40℃; for 5h; Temperature; |
Toluene-4-sulfonic acid 2-hydroxy-3-[4-(2-methoxy-ethyl)-phenoxy]-propyl ester
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
With sodium methylate In methanol at 50 - 60℃; for 0.5h; | 0.50 g |
4-(2-methoxyethyl)phenol
1,2-Epoxy-3-bromopropane
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
With base |
2-bromo-1-(4'-hydroxyphenyl)-1-ethanone
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: methanol 2: H2; AcOH / Pd/C 3: 90 percent / aq. NaOH View Scheme |
alpha-methoxy-4-hydroxyacetophenone
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: H2; AcOH / Pd/C 2: 90 percent / aq. NaOH View Scheme | |
Multi-step reaction with 5 steps 1: 96 percent / H2 / 10percent Pd/C / ethanol / 4 h / 2327.2 Torr 2: 85 percent / K2CO3 / acetone / 7 h / Heating 3: 80 percent / OsO4, N-methylmorpholine-N-oxide / H2O; acetone / 15 h 4: pyridine / 24 h / Ambient temperature 5: 0.50 g / NaOCH3 / methanol / 0.5 h / 50 - 60 °C View Scheme |
4-Hydroxyacetophenone
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: CuBr2 / ethyl acetate 2: methanol 3: H2; AcOH / Pd/C 4: 90 percent / aq. NaOH View Scheme |
p-hydroxyphenacyl chloride
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
Multi-step reaction with 6 steps 1: 90 percent / methanol / 24 h / Ambient temperature 2: 96 percent / H2 / 10percent Pd/C / ethanol / 4 h / 2327.2 Torr 3: 85 percent / K2CO3 / acetone / 7 h / Heating 4: 80 percent / OsO4, N-methylmorpholine-N-oxide / H2O; acetone / 15 h 5: pyridine / 24 h / Ambient temperature 6: 0.50 g / NaOCH3 / methanol / 0.5 h / 50 - 60 °C View Scheme |
4-(2-methoxyethyl)phenol
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: 85 percent / K2CO3 / acetone / 7 h / Heating 2: 80 percent / OsO4, N-methylmorpholine-N-oxide / H2O; acetone / 15 h 3: pyridine / 24 h / Ambient temperature 4: 0.50 g / NaOCH3 / methanol / 0.5 h / 50 - 60 °C View Scheme |
3-[4-(2-methoxyethyl)phenoxy]propylene
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 80 percent / OsO4, N-methylmorpholine-N-oxide / H2O; acetone / 15 h 2: pyridine / 24 h / Ambient temperature 3: 0.50 g / NaOCH3 / methanol / 0.5 h / 50 - 60 °C View Scheme |
3-<4-(2-methoxyethyl)phenoxy>-1,2-propanediol
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: pyridine / 24 h / Ambient temperature 2: 0.50 g / NaOCH3 / methanol / 0.5 h / 50 - 60 °C View Scheme |
phenol
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
Multi-step reaction with 7 steps 1: 50 percent / AlCl3 / various solvent(s) / 5 h / 70 °C 2: 90 percent / methanol / 24 h / Ambient temperature 3: 96 percent / H2 / 10percent Pd/C / ethanol / 4 h / 2327.2 Torr 4: 85 percent / K2CO3 / acetone / 7 h / Heating 5: 80 percent / OsO4, N-methylmorpholine-N-oxide / H2O; acetone / 15 h 6: pyridine / 24 h / Ambient temperature 7: 0.50 g / NaOCH3 / methanol / 0.5 h / 50 - 60 °C View Scheme |
4-(2-methoxyethyl)phenol
epichlorohydrin
B
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
C
(+/-)-1-[4-(2-methoxyethyl)phenoxy]-3-chloro-2-propanol
Conditions | Yield |
---|---|
With tetrabutyl-ammonium chloride at 110℃; under 2100.21 Torr; for 0.95h; Flow reactor; |
(S)-epichlorohydrin
4-(2-methoxyethyl)phenol
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
With potassium carbonate In acetone Reflux; |
isopropylamine
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
(RS)-metoprolol
Conditions | Yield |
---|---|
In ethanol at 50 - 92℃; Temperature; Flow reactor; | 99.58% |
Stage #1: isopropylamine; 2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane In N,N-dimethyl-formamide at 60℃; for 12h; Sealed tube; Stage #2: With water In N,N-dimethyl-formamide at 60℃; for 12h; Solvent; Temperature; Sealed tube; regioselective reaction; | 95% |
In water at 80℃; Flow reactor; | 93.1% |
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
(+/-)-1-[4-(2-methoxyethyl)phenoxy]-3-chloro-2-propanol
Conditions | Yield |
---|---|
With morpholine; 1,3,5-trichloro-2,4,6-triazine In water at 20℃; for 0.5h; | 98% |
Stage #1: 2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane With β‐cyclodextrin In water; acetone at 60℃; Stage #2: With thionyl chloride In water; acetone at 20℃; for 10h; | 91% |
With zirconyl chloride In acetonitrile at 20℃; for 1.16667h; | 80% |
With water; acetyl chloride In dichloromethane for 12h; |
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
With dimethylbromosulphonium bromide In acetonitrile at 20℃; for 0.333333h; | 98% |
With acetic acid; lithium bromide In tetrahydrofuran at 20℃; for 12h; |
acetic anhydride
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
With ammonium molybdophosphate at 20℃; for 1h; | 96% |
Conditions | Yield |
---|---|
With iron(III) chloride In neat (no solvent) at 20℃; for 0.0833333h; regiospecific reaction; | 96% |
succinic acid
isopropylamine
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
Stage #1: isopropylamine; 2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane In ethanol at 50 - 92℃; Flow reactor; Stage #2: succinic acid In ethanol Reflux; | 95.6% |
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
2-[4-(2-methoxyethyl)phenoxymethyl]thiirane
Conditions | Yield |
---|---|
With thiourea; β‐cyclodextrin In water; acetone at 20℃; for 3.5h; | 94% |
With potassium thioacyanate; β‐cyclodextrin In water; acetone at 20℃; for 4h; | 92% |
With potassium thioacyanate In various solvent(s) at 20℃; for 0.75h; | 89% |
thiobenzoic acid
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
With β‐cyclodextrin In water; acetone at 20℃; for 8h; | 94% |
Conditions | Yield |
---|---|
With magnesium oxide; copper at 20℃; for 0.333333h; chemoselective reaction; | 94% |
sodium phenoxide
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
With β‐cyclodextrin In water; acetone at 60℃; for 8h; | 92% |
With PEG-400 at 20℃; for 2.5h; | 88% |
p-Chlorothiophenol
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
C18H21ClO3S
Conditions | Yield |
---|---|
With magnesium oxide; copper at 20℃; for 0.333333h; chemoselective reaction; | 92% |
Conditions | Yield |
---|---|
Stage #1: thiophenol; 2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane With magnesium oxide; copper at 20℃; Stage #2: With dihydrogen peroxide In water at 20℃; for 1.25h; chemoselective reaction; | 91% |
para-thiocresol
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
C19H24O3S
Conditions | Yield |
---|---|
With magnesium oxide; copper at 20℃; for 0.333333h; chemoselective reaction; | 91% |
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
sodium 4-chlorophenolate
Conditions | Yield |
---|---|
With β‐cyclodextrin In water; acetone at 60℃; for 8h; | 90% |
With PEG-400 at 20℃; for 3h; | 85% |
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
thioacetic acid
Conditions | Yield |
---|---|
With β‐cyclodextrin In water; acetone at 20℃; for 8h; | 90% |
p-Chlorothiophenol
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
C18H21ClO4S
Conditions | Yield |
---|---|
Stage #1: p-Chlorothiophenol; 2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane With magnesium oxide; copper at 20℃; Stage #2: With dihydrogen peroxide In water at 20℃; for 1.25h; chemoselective reaction; | 90% |
4-methoxy-aniline
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
With β‐cyclodextrin In water; acetone at 20℃; | 89% |
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
With bismuth(III) nitrate In acetonitrile at 20℃; for 1.5h; | 89% |
With zirconyl nitrate In acetonitrile at 20℃; for 5h; | 85% |
para-thiocresol
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
C19H24O4S
Conditions | Yield |
---|---|
Stage #1: para-thiocresol; 2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane With magnesium oxide; copper at 20℃; Stage #2: With dihydrogen peroxide In water at 20℃; for 1.25h; chemoselective reaction; | 89% |
sodium 4-methoxyphenolate
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
With β‐cyclodextrin In water; acetone at 60℃; for 8h; | 88% |
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
3-<4-(2-methoxyethyl)phenoxy>-1,2-propanediol
Conditions | Yield |
---|---|
With β‐cyclodextrin In methanol; water at 40℃; for 6h; | 85% |
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
2-hydroxyethanethiol
C14H22O4S
Conditions | Yield |
---|---|
With magnesium oxide; copper at 20℃; for 0.5h; chemoselective reaction; | 85% |
Conditions | Yield |
---|---|
With sodium hydrogencarbonate In acetonitrile at 50℃; for 6h; Reagent/catalyst; Solvent; | 83% |
Benzeneselenol
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
Stage #1: 2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane With β‐cyclodextrin In water; acetone Stage #2: Benzeneselenol In water; acetone at 20℃; for 0.583333h; | 82% |
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
B
(2S)-2-{[4-(2-Methoxyethyl)phenoxy]methyl}oxirane
C
(R)-2-{[4-(2-methoxyethyl)phenoxy]methyl}oxirane
Conditions | Yield |
---|---|
With Salen-Co(III)OAc In water Ambient temperature; | A 49% B 45% C n/a |
(S)-2-aminobutan-1-ol
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
In water at 20℃; for 24h; | A 25% B 43% |
(2,3-dihydrobenzo[1,4]dioxin-2-ylmethyl)amine
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
Conditions | Yield |
---|---|
In methanol for 2h; Heating; | 26% |
N-(2-aminoethyl)-4-(1H-imidazol-1-yl)benzamide hydrochloride
2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane
N-[2-[[2-Hydroxy-3-(4-(2-methoxyethyl)phenoxy)propyl]amino]ethyl]-4-(1H-imidazol-1-yl)benzamide
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; water at 60℃; for 17h; | 11% |
The Oxirane,2-[[4-(2-methoxyethyl)phenoxy]methyl]-, with the CAS registry number 56718-70-8, is also known as ((p-(2-Methoxyethyl)phenoxy)methyl)oxirane. This chemical's molecular formula is C12H16O3 and molecular weight is 208.25. What's more, its systematic name is 2-{[4-(2-Methoxyethyl)phenoxy]methyl}oxirane and its EINECS number is 260-353-3. Besides, it belongs to the product categories of Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals.
Physical properties of Oxirane,2-[[4-(2-methoxyethyl)phenoxy]methyl]- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 10.85; (6)ACD/BCF (pH 7.4): 10.85; (7)ACD/KOC (pH 5.5): 191.81; (8)ACD/KOC (pH 7.4): 191.81; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 30.99 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 57.69 cm3; (15)Molar Volume: 189.4 cm3; (16)Polarizability: 22.87×10-24 cm3; (17)Surface Tension: 40.2 dyne/cm; (18)Density: 1.099 g/cm3; (19)Flash Point: 100.1 °C; (20)Enthalpy of Vaporization: 51.9 kJ/mol; (21)Boiling Point: 300.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00199 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)CCOC)CC2OC2
(2)InChI: InChI=1/C12H16O3/c1-13-7-6-10-2-4-11(5-3-10)14-8-12-9-15-12/h2-5,12H,6-9H2,1H3
(3)InChIKey: UEOWFGJMGUIGHC-UHFFFAOYSA-N
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