Product Name

  • Name

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

  • EINECS 255-735-1
  • CAS No. 42245-42-1
  • Article Data19
  • CAS DataBase
  • Density 1.224 g/cm3
  • Solubility
  • 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
  • Appearance
  • 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;
  • PSA 48.06000
  • LogP 1.30810

Synthetic route

4-methoxy-benzaldehyde
123-11-5

4-methoxy-benzaldehyde

methyl chloroacetate
96-34-4

methyl chloroacetate

methyl 3-(4-methoxyphenyl)glycidate
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%
3-(4-methoxy-phenyl)acrylic acid methyl ester
3901-07-3

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

A

methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

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

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;
3-(4-methoxy-phenyl)acrylic acid methyl ester
3901-07-3

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

3-chloro-benzenecarboperoxoic acid
937-14-4

3-chloro-benzenecarboperoxoic acid

A

methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

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

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;
...Expand
(E)-3-(4-methoxyphenyl)acrylic acid
943-89-5

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

methyl 3-(4-methoxyphenyl)glycidate
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
4-methoxy-benzaldehyde
123-11-5

4-methoxy-benzaldehyde

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

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

methyl 3-(4-methoxyphenyl)glycidate
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
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

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

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

Conditions
ConditionsYield
With potassium hydroxide In ethanol for 3h; Ambient temperature;95.4%
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

N-methyl-2-(2-(2-(4-phenyl-1-piperidyl)ethoxy)phenyl)thiazolidine-3-carbothioamide oxalate
107336-58-3

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

N-methyl-2-{2-[2-(4-phenylpiperidine-1-yl)ethyloxy]phenyl}thiazolidine-3-carboxamide
107335-95-5

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

Conditions
ConditionsYield
In ethanol82.3%
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

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

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%
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

3-(4-methoxy-phenyl)acrylic acid methyl ester
3901-07-3

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

Conditions
ConditionsYield
With samarium diiodide In tetrahydrofuran at 20℃; for 1.5h;79%
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

(N)-methyl-2-(2-(2-(4-phenylpiperazino)ethoxy)phenyl)thiazolidine-3-thiocarboxamide
103074-00-6

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

N-methyl-2-{2-[2-(4-phenylpiperazin-1-yl)ethyloxy]phenyl}thiazolidine-3-carboxamide
103072-76-0

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

Conditions
ConditionsYield
In ethanol75.7%
2-amino-5-chlorobenzenethiol
23474-98-8

2-amino-5-chlorobenzenethiol

methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

(+)-threo-2-hydroxy-3-(2-amino-5-chlorophenylthio)-3-(4-methoxyphenyl)propionic acid methyl ester

(+)-threo-2-hydroxy-3-(2-amino-5-chlorophenylthio)-3-(4-methoxyphenyl)propionic acid methyl ester

Conditions
ConditionsYield
In di-isopropyl ether; toluene68%
In di-isopropyl ether; toluene68%
In toluene
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

2-amino-5-methoxy-thiophenol
6274-29-9

2-amino-5-methoxy-thiophenol

threo-2-hydroxy-3-<(2-amino-5-methoxyphenyl)thio>-3-(4-methoxyphenyl)propionic acid methyl ester
100601-17-0, 132618-96-3

threo-2-hydroxy-3-<(2-amino-5-methoxyphenyl)thio>-3-(4-methoxyphenyl)propionic acid methyl ester

Conditions
ConditionsYield
In toluene for 6h; Heating;63%
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

4-methoxy-phenol
150-76-5

4-methoxy-phenol

2-hydroxy-3-(4-methoxy-phenoxy)-3-(4-methoxy-phenyl)propionic acid methyl ester
1621069-96-2

2-hydroxy-3-(4-methoxy-phenoxy)-3-(4-methoxy-phenyl)propionic acid methyl ester

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride; silver nitrate In isopropyl alcohol at 60 - 80℃; for 8.5h;61%
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

(E)-3-methylpentyl-3-en-1-amine hydrochloride

(E)-3-methylpentyl-3-en-1-amine hydrochloride

2-(4-methoxy-benzyl)-3,4-dimethyl-piperidin-4-ol
18175-34-3

2-(4-methoxy-benzyl)-3,4-dimethyl-piperidin-4-ol

Conditions
ConditionsYield
With hydrogenchloride In water at 85 - 90℃; for 36h;57.1%
2-butyl ethyl ether
625-54-7

2-butyl ethyl ether

methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

2-nitrothiophenol
4875-10-9

2-nitrothiophenol

methyl 2-hydroxy-3-(4-methoxyphenyl)-3-(2-nitrophenylthio)propionate
30067-00-6

methyl 2-hydroxy-3-(4-methoxyphenyl)-3-(2-nitrophenylthio)propionate

Conditions
ConditionsYield
With trifluoroborane diethyl ether51.3%
...Expand
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

methyl 2-hydroxy-3-(4-methoxyphenyl)-3-(2-nitrophenylthio)propionate
30067-00-6

methyl 2-hydroxy-3-(4-methoxyphenyl)-3-(2-nitrophenylthio)propionate

Conditions
ConditionsYield
In ethyl acetate; benzene47.1%
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

C6H13N*ClH

C6H13N*ClH

2-(4-methoxy-benzyl)-3,4-dimethyl-piperidin-4-ol
18175-34-3

2-(4-methoxy-benzyl)-3,4-dimethyl-piperidin-4-ol

Conditions
ConditionsYield
With water; sodium hydroxide at 90 - 95℃; for 48h; pH=6 - 7;45%
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

β-naphthol
135-19-3

β-naphthol

A

C20H16O4
1446468-30-9

C20H16O4

B

methyl 1-(4-methoxyphenyl)-1,2-dihydronaphtho[2,1-b]furan-2-carboxylate

methyl 1-(4-methoxyphenyl)-1,2-dihydronaphtho[2,1-b]furan-2-carboxylate

Conditions
ConditionsYield
With aluminum (III) chloride In chloroform at 20℃; for 0.5h; Reagent/catalyst;A 38%
B 32%
With tris(p-bromophenylammoniumyl) hexachloroantimonate In dichloromethane at 20℃; for 0.5h; Reagent/catalyst; Solvent; chemoselective reaction;A 20 %Spectr.
B 72 %Spectr.
...Expand
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

triphenylborane
1095-03-0

triphenylborane

(2RS,3RS)-methyl 3-(4-methoxyphenyl)-3-phenoxy-2-hydroxy-propanoate

(2RS,3RS)-methyl 3-(4-methoxyphenyl)-3-phenoxy-2-hydroxy-propanoate

(2SR,3RS)-methyl 3-(4-methoxyphenyl)-3-phenoxy-2-hydroxy-propanoate

(2SR,3RS)-methyl 3-(4-methoxyphenyl)-3-phenoxy-2-hydroxy-propanoate

Conditions
ConditionsYield
In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 2h;A n/a
B 20%
...Expand
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

2-(cyclopent-1-en-1-yl) ethan-1-amine
3197-72-6

2-(cyclopent-1-en-1-yl) ethan-1-amine

1-(4-methoxy-benzyl)-octahydro-[2]pyrindin-4a-ol
143207-89-0

1-(4-methoxy-benzyl)-octahydro-[2]pyrindin-4a-ol

Conditions
ConditionsYield
With hydrogenchloride
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

2-(cyclohept-1-en-1-yl)ethan-1-amine
4431-14-5

2-(cyclohept-1-en-1-yl)ethan-1-amine

1-(4-methoxy-benzyl)-decahydro-cyclohepta[c]pyridin-4a-ol
109569-42-8

1-(4-methoxy-benzyl)-decahydro-cyclohepta[c]pyridin-4a-ol

Conditions
ConditionsYield
With hydrogenchloride
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

2-(1-cyclohexenyl)ethylamine
3399-73-3

2-(1-cyclohexenyl)ethylamine

1-(4-methoxy-benzyl)-octahydro-isoquinolin-4a-ol
63477-92-9

1-(4-methoxy-benzyl)-octahydro-isoquinolin-4a-ol

Conditions
ConditionsYield
With hydrogenchloride
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

2-(methylamino)benzenethiol
21749-63-3

2-(methylamino)benzenethiol

2-Hydroxy-3-(4-methoxy-phenyl)-3-(2-methylamino-phenylsulfanyl)-propionic acid methyl ester
31966-75-3

2-Hydroxy-3-(4-methoxy-phenyl)-3-(2-methylamino-phenylsulfanyl)-propionic acid methyl ester

methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

2-(2-diethylamino-ethylamino)-benzenethiol
31964-34-8

2-(2-diethylamino-ethylamino)-benzenethiol

4-(2-diethylamino-ethyl)-4H-benzo[1,4]thiazin-3-one
46874-56-0

4-(2-diethylamino-ethyl)-4H-benzo[1,4]thiazin-3-one

Conditions
ConditionsYield
at 130 - 140℃; for 3h;
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

2-(2-diethylamino-ethylamino)-benzenethiol
31964-34-8

2-(2-diethylamino-ethylamino)-benzenethiol

3-[2-(2-Diethylamino-ethylamino)-phenylsulfanyl]-2-hydroxy-3-(4-methoxy-phenyl)-propionic acid methyl ester
31964-35-9

3-[2-(2-Diethylamino-ethylamino)-phenylsulfanyl]-2-hydroxy-3-(4-methoxy-phenyl)-propionic acid methyl ester

methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

4-Methoxyphenylacetaldehyde
5703-26-4

4-Methoxyphenylacetaldehyde

Conditions
ConditionsYield
With sodium methylate; acetic acid 1.) CH3OH, benzene, 0-5 deg C, 2.) reflux, 3 h; Multistep reaction;
With sodium methylate; acetic acid 1) methanol, ether, water, 5 deg C, 3 h; 2) benzene, reflux, 3 h; Yield given. Multistep reaction;
Multi-step reaction with 2 steps
1: potassium hydroxide / water / 5 h / 15 - 20 °C
2: potassium dihydrogenphosphate / water; dichloromethane / 5 h
View Scheme
Multi-step reaction with 2 steps
1: potassium hydroxide / ethanol / 8 h / 0 - 15 °C
2: potassium dihydrogenphosphate / dichloromethane; water / 4 h / 20 °C
View Scheme
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

A

methyl (2R,3S)-3-(4-methoxyphenyl)glycidate
105560-93-8

methyl (2R,3S)-3-(4-methoxyphenyl)glycidate

B

(2S,3R)-trans-(4-methoxyphenyl)glycidic acid
106003-21-8

(2S,3R)-trans-(4-methoxyphenyl)glycidic acid

Conditions
ConditionsYield
With water In acetone at 25℃; Rhizopus arrhizus mycelium lipase, pH 7;
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

methyl (2R,3S)-3-(4-methoxyphenyl)glycidate
105560-93-8

methyl (2R,3S)-3-(4-methoxyphenyl)glycidate

methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

2-nitrothiophenol
4875-10-9

2-nitrothiophenol

methyl 2-hydroxy-3-(4-methoxyphenyl)-3-(2-nitrophenylthio)propionate
30067-00-6

methyl 2-hydroxy-3-(4-methoxyphenyl)-3-(2-nitrophenylthio)propionate

Conditions
ConditionsYield
In acetonitrile
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

4-chloro-2-nitro-thiophenol
36776-27-9

4-chloro-2-nitro-thiophenol

3-(4-Chloro-2-nitro-phenylsulfanyl)-2-hydroxy-3-(4-methoxy-phenyl)-propionic acid methyl ester
30067-02-8

3-(4-Chloro-2-nitro-phenylsulfanyl)-2-hydroxy-3-(4-methoxy-phenyl)-propionic acid methyl ester

Conditions
ConditionsYield
In acetonitrile
methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

2-amino-benzenethiol
137-07-5

2-amino-benzenethiol

(2RS,3RS)-3-(2'-aminophenylthio)-2-hydroxy-3-(4''-methoxyphenyl)-propionic acid methyl ester
30193-56-7

(2RS,3RS)-3-(2'-aminophenylthio)-2-hydroxy-3-(4''-methoxyphenyl)-propionic acid methyl ester

methyl 3-(4-methoxyphenyl)glycidate
42245-42-1

methyl 3-(4-methoxyphenyl)glycidate

methyl 2-hydroxy-3-(4-methoxyphenyl)acrylate
103988-43-8

methyl 2-hydroxy-3-(4-methoxyphenyl)acrylate

Conditions
ConditionsYield
zinc(II) perchlorate In toluene Heating;

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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