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Oxirane,2-[[4-(2-methoxyethyl)phenoxy]methyl]-
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Name

Oxirane,2-[[4-(2-methoxyethyl)phenoxy]methyl]-

 EINECS 260-353-3
CAS No. 56718-70-8 Density 1.099 g/cm3
PSA 30.99000 LogP 1.65310
Solubility N/A Melting Point 67-68℃ (ligroine )
Formula C12H16O3 Boiling Point 300.6 °C at 760 mmHg
Molecular Weight 208.257 Flash Point 100.1 °C
Transport Information N/A Appearance Pale-yellow oil
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 56718-70-8 ([[p-(2-methoxyethyl)phenoxy]methyl]oxirane) Hazard Symbols N/A
Synonyms

Oxirane,[[4-(2-methoxyethyl)phenoxy]methyl]- (9CI);MEEPB;2-{[4-(2-Methoxyethyl)phenoxy]methyl}oxirane;((p-(2-Methoxyethyl)phenoxy)methyl)oxirane;[[4-(2-Methoxyethyl)phenoxy]methyl]-oxirane;

Article Data 26

Oxirane,2-[[4-(2-methoxyethyl)phenoxy]methyl]- Synthetic route

56718-71-9

4-(2-methoxyethyl)phenol

106-89-8

epichlorohydrin

56718-70-8

2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane

Conditions
ConditionsYield
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%
56718-71-9

4-(2-methoxyethyl)phenol

106-89-8

epichlorohydrin

A

56718-70-8

2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane

B

56718-76-4

(+/-)-1-[4-(2-methoxyethyl)phenoxy]-3-chloro-2-propanol

Conditions
ConditionsYield
With sodium hydroxideA 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;
74254-83-4

Toluene-4-sulfonic acid 2-hydroxy-3-[4-(2-methoxy-ethyl)-phenoxy]-propyl ester

56718-70-8

2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane

Conditions
ConditionsYield
With sodium methylate In methanol at 50 - 60℃; for 0.5h;0.50 g
56718-71-9

4-(2-methoxyethyl)phenol

3132-64-7

1,2-Epoxy-3-bromopropane

56718-70-8

2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane

Conditions
ConditionsYield
With base
2491-38-5

2-bromo-1-(4'-hydroxyphenyl)-1-ethanone

56718-70-8

2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: methanol
2: H2; AcOH / Pd/C
3: 90 percent / aq. NaOH
View Scheme
32136-81-5

alpha-methoxy-4-hydroxyacetophenone

56718-70-8

2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane

Conditions
ConditionsYield
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
99-93-4

4-Hydroxyacetophenone

56718-70-8

2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: CuBr2 / ethyl acetate
2: methanol
3: H2; AcOH / Pd/C
4: 90 percent / aq. NaOH
View Scheme
6305-04-0

p-hydroxyphenacyl chloride

56718-70-8

2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane

Conditions
ConditionsYield
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
56718-71-9

4-(2-methoxyethyl)phenol

56718-70-8

2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane

Conditions
ConditionsYield
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
80448-05-1

3-[4-(2-methoxyethyl)phenoxy]propylene

56718-70-8

2-[4-(2'-methoxyethyl)phenoxymethyl]oxirane

Conditions
ConditionsYield
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

Oxirane,2-[[4-(2-methoxyethyl)phenoxy]methyl]- Specification

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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