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

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Product Information

Molecular Formula:
C11H12O4
Molecular Weight:
208.21
Description
Methyl 3-(4-methoxyphenyl)oxirane-2-carboxylate is a vital compound used in the biomedical industry. This product is utilized in the development of drugs targeting specific diseases such as cancer, inflammation, and neurodegenerative disorders. Its unique structural properties enable it to interact with cellular components, aiding in the drug development of various ailments.
Synonyms
Methyl 3-(p-methoxyphenyl)oxirane-2-carboxylate; Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, methyl ester; 2-Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, methyl ester; Methyl 2R,3S-(-)-3-(4-methoxyphenyl)oxiranecarboxylate; METHYL (2R,3S)-2,3-EPOXY-3-(4-METHOXYPHENYL)PROPIONATE; Methyl 3-(p-methoxyphenyl)-2,3-epoxypropionate; 3-(-Methoxyphenyl)glycidic acid methylester; Methyl2,3-epoxy-3-(4-methoxyphenyl)propionate; methyl (2R,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate; 3-(4-Methoxyphenyl)glicidic acid methyl ester; trans-3-[4-Methoxyphenyl]glycidicacidmethylester
IUPAC Name
methyl 3-(4-methoxyphenyl)oxirane-2-carboxylate
Canonical SMILES
COC1=CC=C(C=C1)C2C(O2)C(=O)OC
InChI
InChI=1S/C11H12O4/c1-13-8-5-3-7(4-6-8)9-10(15-9)11(12)14-2/h3-6,9-10H,1-2H3
InChI Key
CVZUMGUZDAWOGA-UHFFFAOYSA-N
Boiling Point
297.7°C at 760 mmHg
Melting Point
69-71°C(lit.)
Flash Point
Not applicable
Purity
95%
Density
1.224 g/cm3

Safety Information

Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3
1.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
208.07355886 g/mol
Monoisotopic Mass
208.07355886 g/mol
Topological Polar Surface Area
48.1Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
233
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
EP-3789427-A1 Supramolecular gel supported on open-cell polymer foam 2019-09-09
WO-2021048199-A1 Supramolecular gel supported on open-cell polymer foam 2019-09-09
CA-2972375-A1 Malodor reduction compositions 2017-07-06
US-10975260-B2 Monomers, polymers and coating formulations that comprise at least one N-halamine precursor, a cationic center and a coating incorporation group 2015-11-13
WO-2014030106-A2 Process for preparation of optically active (2r,3s)-3-(4- methoxyphenyl)glycidic acid methyl ester and cis lactam and uses thereof 2012-08-18
EP-2780177-A1 Method for producing polydienes and polydiene copolymers with reduced cold flow 2011-11-18
EP-2780177-B1 Method for producing polydienes and polydiene copolymers with reduced cold flow 2011-11-18
US-10301397-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow 2011-11-18
US-2014296445-A1 Method For Producing Polydienes And Polydiene Copolymers With Reduced Cold Flow 2011-11-18
US-2016340447-A1 Method for producing polydienes and polydiene copolymers with reduced cold flow 2011-11-18

Literatures

PMID Publication Date Title Journal
15549608 2004-12-01 Optimization of Serratia marcescens lipase production for enantioselective hydrolysis of 3-phenylglycidic acid ester Journal of industrial microbiology & biotechnology
12558423 2003-02-07 Highly enantioselective mukaiyama aldol reaction of alpha,alpha-dichloro ketene silyl acetal: an efficient synthesis of a key intermediate for diltiazem The Journal of organic chemistry
12076164 2002-06-28 A practical procedure for the large-scale preparation of methyl (2R,3S)-3-(4-methoxyphenyl)glycidate, a key intermediate for diltiazem The Journal of organic chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

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