≥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)(C)CC1C(C(C(N1)C(=O)OC(C)(C)C)C2=C(C(=CC=C2)Cl)F)(C#N)C3=C(C=C(C=C3)Cl)F |
|---|---|
| IUPAC Name | tert-butyl (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate |
| InChIKey | GVUURVYUUHABAS-HKTPZVOJSA-N |
| INCHI | 1S/C27H30Cl2F2N2O2/c1-25(2,3)13-20-27(14-32,17-11-10-15(28)12-19(17)30)21(16-8-7-9-18(29)22(16)31)23(33-20)24(34)35-26(4,5)6/h7-12,20-21,23,33H,13H2,1-6H3/t20-,21-,23+,27-/m0/s1 |
| Isomeric SMILES | CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)OC(C)(C)C)C2=C(C(=CC=C2)Cl)F)(C#N)C3=C(C=C(C=C3)Cl)F |
| Alternate CAS | 1219086-88-0 |
| PubChem CID | 59249627 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Stilbenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Stilbenes |
| Alternative Parents | Proline and derivatives Alpha amino acid esters Phenylpyrrolidines Pyrrolidine carboxylic acids Aralkylamines Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Pyrroles Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Stilbene - Alpha-amino acid ester - Proline or derivatives - 3-phenylpyrrolidine - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - Fluorobenzene - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl halide - Aryl fluoride - Pyrrolidine - Pyrrole - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organooxygen compound - Cyanide - Amine - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
| External Descriptors | Not available |
| Molecular Weight | 523.400 g/mol |
|---|---|
| XLogP3 | 7.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 522.165 Da |
| Monoisotopic Mass | 522.165 Da |
| Topological Polar Surface Area | 62.100 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 820.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |
