≥97% 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 | CC(C(C1CCCN1C(=O)OC(C)(C)C)O)C(=O)OCC2=CC=CC=C2 |
|---|---|
| IUPAC Name | tert-butyl (2S)-2-[(1R,2R)-1-hydroxy-2-methyl-3-oxo-3-phenylmethoxypropyl]pyrrolidine-1-carboxylate |
| InChIKey | IJTMTCBOXNAACY-HYVNUMGLSA-N |
| INCHI | 1S/C20H29NO5/c1-14(18(23)25-13-15-9-6-5-7-10-15)17(22)16-11-8-12-21(16)19(24)26-20(2,3)4/h5-7,9-10,14,16-17,22H,8,11-13H2,1-4H3/t14-,16+,17-/m1/s1 |
| Isomeric SMILES | C[C@H]([C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)O)C(=O)OCC2=CC=CC=C2 |
| Alternate CAS | 163768-51-2 |
| PubChem CID | 10808707 |
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 | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Pyrrolidine carboxylic acids Fatty acid esters Beta hydroxy acids and derivatives Carbamate esters Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Beta-hydroxy acid - Fatty acid ester - Hydroxy acid - Fatty acyl - Carbamic acid ester - Pyrrolidine - Secondary alcohol - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alcohol - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| External Descriptors | Not available |
| Molecular Weight | 363.400 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 363.205 Da |
| Monoisotopic Mass | 363.205 Da |
| Topological Polar Surface Area | 76.100 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 481.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
