≥98% 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.
| Sonrisas canónicas | CCOC(=O)CN1C(CN(C2(C1=O)CCCC2)C(=O)OC(C)(C)C)C3=CC(=CC(=C3)F)F |
|---|---|
| IUPAC Name | tert-butyl (8R)-8-(3,5-difluorophenyl)-9-(2-ethoxy-2-oxoethyl)-10-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate |
| InChIKey | ZOFJVJZCVFSUNT-SFHVURJKSA-N |
| INCHI | 1S/C23H30F2N2O5/c1-5-31-19(28)14-26-18(15-10-16(24)12-17(25)11-15)13-27(21(30)32-22(2,3)4)23(20(26)29)8-6-7-9-23/h10-12,18H,5-9,13-14H2,1-4H3/t18-/m0/s1 |
| Isómeros SMILES | CCOC(=O)CN1[C@@H](CN(C2(C1=O)CCCC2)C(=O)OC(C)(C)C)C3=CC(=CC(=C3)F)F |
| PubChem CID | 66973423 |
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 | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Phenylpiperazines Piperazine carboxylic acids N-alkylpiperazines Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Carbamate esters Carboxylic acid esters Lactams Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Phenylpiperazine - Piperazine-1-carboxylic acid - Fluorobenzene - N-alkylpiperazine - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Peso molecular | 452.500 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 452.212 Da |
| Monoisotopic Mass | 452.212 Da |
| Topological Polar Surface Area | 76.200 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 710.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
![(R)-tert-butyl 8-(3,5-difluorophenyl)-9-(2-ethoxy-2-oxoethyl)-10-oxo-6,9-diazaspiro[4.5]decane-6-carboxylate - ≥98% , CAS No.957122-11-1](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)