Methyl trans-3-(4-Methoxyphenyl)glycidate
Catalog: |
BB076355 |
Product Name: |
Methyl trans-3-(4-Methoxyphenyl)glycidate |
Synonyms: |
Methyl trans-3-(p-Methoxyphenyl)glycidate; (-)-(2R,3S)-trans-Methyl p-Methoxycinnamate Oxide; Methyl trans-3-(4-Methoxyphenyl)-oxiranecarboxylic Acid Ester; Methyl trans-(±)-3-(4-Methoxyphenyl)-oxiranecarboxylic Acid Ester; (2R,3S)-rel-3-(4-Methoxyphenyl)-oxiranecarboxylic Acid Ester |
IUPAC Name: | methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylate |
Description: | Methyl trans-3-(4-Methoxyphenyl)glycidate is an intermediate used in the synthesis of Clentiazem (C573035), which is a benzothiazepine-like calcium antagonists; Enhances endothelium-dependent coronary artery relaxation. |
Molecular Weight: | 208.21 |
Molecular Formula: | C11H12O4 |
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/t9-,10+/m1/s1 |
InChI Key: | CVZUMGUZDAWOGA-ZJUUUORDSA-N |
Solubility: | Dichloromethane; Chloroform; Ethyl Acetate; DMSO |
Appearance: | White Solid |
References: | Tanguay, M., et al. Can. J. Physiol. Pharmacol., 73, 1108-1117 (1995); Dagenais, F., et al. Can. J. Cardiol., 11, 816-822 (1995). |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.07355886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 48.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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