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Methyl 3-(4-methoxyphenyl)oxirane-2-carboxylate

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Name

Methyl 3-(4-methoxyphenyl)oxirane-2-carboxylate

EINECS 255-735-1
CAS No. 42245-42-1 Density 1.224 g/cm3
PSA 48.06000 LogP 1.30810
Solubility N/A Melting Point 69-71 °C(lit.)
Formula C11H12O4 Boiling Point 297.7 °C at 760 mmHg
Molecular Weight 208.214 Flash Point 129.2 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 42245-42-1 (Methyl 3-(4-methoxyphenyl)oxirane-2-carboxylate) Hazard Symbols IrritantXi
Synonyms

Glycidicacid, 3-(p-methoxyphenyl)-, methyl ester (7CI);Oxiranecarboxylic acid,3-(4-methoxyphenyl)-, methyl ester (9CI);Methyl2,3-epoxy-3-(4-methoxyphenyl)propionate;Methyl 3-(4-methoxyphenyl)glycidate;

Article Data 19

Methyl 3-(4-methoxyphenyl)oxirane-2-carboxylate Synthetic route

123-11-5

4-methoxy-benzaldehyde

96-34-4

methyl chloroacetate

42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

Conditions
ConditionsYield
With sodium methylate In ethanol at 5 - 35℃; for 2h;88.4%
With sodium methylate In methanol 1) -10 deg C, 1.5 h; 2) -5 deg C, 1 h; 3) room temperature, 3 h;70%
Stage #1: methyl chloroacetate With sodium methylate In methanol for 0.0833333h; Cooling with ice;
Stage #2: 4-methoxy-benzaldehyde In methanol at 0℃;
41%
3901-07-3

3-(4-methoxy-phenyl)acrylic acid methyl ester

A

42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

3-Chloro-benzoic acid (1S,2S)-2-hydroxy-2-methoxycarbonyl-1-(4-methoxy-phenyl)-ethyl ester

Conditions
ConditionsYield
With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid In dichloromethane; water for 1.5h; Ambient temperature;
3901-07-3

3-(4-methoxy-phenyl)acrylic acid methyl ester

937-14-4

3-chloro-benzenecarboperoxoic acid

A

42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

3-Chloro-benzoic acid (1S,2S)-2-hydroxy-2-methoxycarbonyl-1-(4-methoxy-phenyl)-ethyl ester

Conditions
ConditionsYield
In dichloromethane for 1.5h; Ambient temperature;
943-89-5

(E)-3-(4-methoxyphenyl)acrylic acid

42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: H2SO4
2: m-chloroperbenzoic acid, sodium bicarbonate / CH2Cl2; H2O / 1.5 h / Ambient temperature
View Scheme
Multi-step reaction with 2 steps
1: H2SO4
2: CH2Cl2 / 1.5 h / Ambient temperature
View Scheme
123-11-5

4-methoxy-benzaldehyde

(+-)-2-cyano-3-m-tolyl-propionic acid hydrazide

(+-)-2-cyano-3-m-tolyl-propionic acid hydrazide

42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
2: H2SO4
3: m-chloroperbenzoic acid, sodium bicarbonate / CH2Cl2; H2O / 1.5 h / Ambient temperature
View Scheme
Multi-step reaction with 3 steps
2: H2SO4
3: CH2Cl2 / 1.5 h / Ambient temperature
View Scheme
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

Potassium; (2S,3R)-3-(4-methoxy-phenyl)-oxirane-2-carboxylate

Conditions
ConditionsYield
With potassium hydroxide In ethanol for 3h; Ambient temperature;95.4%
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

107336-58-3

N-methyl-2-(2-(2-(4-phenyl-1-piperidyl)ethoxy)phenyl)thiazolidine-3-carbothioamide oxalate

107335-95-5

N-methyl-2-{2-[2-(4-phenylpiperidine-1-yl)ethyloxy]phenyl}thiazolidine-3-carboxamide

Conditions
ConditionsYield
In ethanol82.3%
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

methyl 2,3-dideuterio-3-[(4-methoxy)phenyl]propanoate

Conditions
ConditionsYield
Stage #1: methyl 3-(4-methoxyphenyl)glycidate With samarium diiodide In tetrahydrofuran at 20℃; for 2h;
Stage #2: With water-d2 In tetrahydrofuran at 20℃; for 12h; Further stages.;
81%
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

3901-07-3

3-(4-methoxy-phenyl)acrylic acid methyl ester

Conditions
ConditionsYield
With samarium diiodide In tetrahydrofuran at 20℃; for 1.5h;79%
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

103074-00-6

(N)-methyl-2-(2-(2-(4-phenylpiperazino)ethoxy)phenyl)thiazolidine-3-thiocarboxamide

103072-76-0

N-methyl-2-{2-[2-(4-phenylpiperazin-1-yl)ethyloxy]phenyl}thiazolidine-3-carboxamide

Conditions
ConditionsYield
In ethanol75.7%

Methyl 3-(4-methoxyphenyl)oxirane-2-carboxylate Specification

The 2-Oxiranecarboxylicacid, 3-(4-methoxyphenyl)-, methyl ester, with the CAS registry number 42245-42-1, is also known as Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, methyl ester. It belongs to the product categories of API intermediates; Epoxide Monomers; Monomers; Polymer Science. Its EINECS registry number is 255-735-1. This chemical's molecular formula is C11H12O4 and molecular weight is 208.21. Its systematic name is called methyl 3-(4-methoxyphenyl)oxirane-2-carboxylate.

Physical properties of 2-Oxiranecarboxylicacid, 3-(4-methoxyphenyl)-, methyl ester: (1)ACD/LogP: 1.27; (2)ACD/LogD (pH 5.5): 1.27; (3)ACD/LogD (pH 7.4): 1.27; (4)ACD/BCF (pH 5.5): 5.44; (5)ACD/BCF (pH 7.4): 5.44; (6)ACD/KOC (pH 5.5): 117; (7)ACD/KOC (pH 7.4): 117; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 52.9 cm3; (12)Molar Volume: 170 cm3; (13)Surface Tension: 42.6 dyne/cm; (14)Density: 1.224 g/cm3; (15)Flash Point: 129.2 °C; (16)Enthalpy of Vaporization: 53.76 kJ/mol; (17)Boiling Point: 297.7 °C at 760 mmHg; (18)Vapour Pressure: 0.00133 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C2OC2c1ccc(OC)cc1
(2)InChI: InChI=1/C11H12O4/c1-13-8-5-3-7(4-6-8)9-10(15-9)11(12)14-2/h3-6,9-10H,1-2H3
(3)InChIKey: CVZUMGUZDAWOGA-UHFFFAOYAF

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