≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CCOC(=O)C1=C2C=CN(C2=NC=N1)C(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | 7-O-tert-butyl 4-O-ethyl pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylate |
| InChIKey | XWJWIGDIHMKNHJ-UHFFFAOYSA-N |
| INCHI | 1S/C14H17N3O4/c1-5-20-12(18)10-9-6-7-17(11(9)16-8-15-10)13(19)21-14(2,3)4/h6-8H,5H2,1-4H3 |
| Isomeric SMILES | CCOC(=O)C1=C2C=CN(C2=NC=N1)C(=O)OC(C)(C)C |
| PubChem CID | 66545093 |
| Molecular Weight | 291.31 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Pyrimidinecarboxylic acids and derivatives |
| Direct Parent | Pyrimidinecarboxylic acids |
| Alternative Parents | Pyrrolo[2,3-d]pyrimidines Pyrrole carboxylic acids and derivatives Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolo[2,3-d]pyrimidine - Pyrimidine-6-carboxylic acid - Pyrrolopyrimidine - Pyrrole-1-carboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring. |
| External Descriptors | Not available |
| Molecular Weight | 291.300 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 291.122 Da |
| Monoisotopic Mass | 291.122 Da |
| Topological Polar Surface Area | 83.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 408.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![7-tert-butyl 4-ethyl 7H-pyrrolo[2,3-d]pyrimidine-4,7-dicarboxylate - ≥98% , CAS No.1357147-41-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)