≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)OCC(=O)N)C(=O)OC |
|---|---|
| IUPAC Name | methyl 6-amino-4-[3-(2-amino-2-oxoethoxy)phenyl]-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate |
| InChIKey | RMSDOAVCEHAMPZ-UHFFFAOYSA-N |
| INCHI | 1S/C19H19N3O7/c1-26-15(24)7-13-17(19(25)27-2)16(12(8-20)18(22)29-13)10-4-3-5-11(6-10)28-9-14(21)23/h3-6,16H,7,9,22H2,1-2H3,(H2,21,23) |
| Isomeric SMILES | COC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)OCC(=O)N)C(=O)OC |
| PubChem CID | 660923 |
| Molecular Weight | 401.37 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Alkyl aryl ethers Pyrans Dicarboxylic acids and derivatives Vinylogous esters Enoate esters Methyl esters Primary carboxylic acid amides Ketene acetals Oxacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Organopnictogen compounds Carbonyl compounds Monoalkylamines |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyran - Methyl ester - Enoate ester - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Primary carboxylic acid amide - Nitrile - Carbonitrile - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 401.400 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 9 |
| Exact Mass | 401.122 Da |
| Monoisotopic Mass | 401.122 Da |
| Topological Polar Surface Area | 164.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 793.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![methyl 6-amino-4-[3-(2-amino-2-oxoethoxy)phenyl]-5-cyano-2-(2-methoxy-2-oxoethyl)-4H-pyran-3-carboxylate - ≥90% , CAS No.498536-39-3](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)