≥95% 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)OC(=O)N1CC(C(C1)C2=CC=C(C=C2)OC)CO |
|---|---|
| IUPAC Name | tert-butyl (3S,4R)-3-(hydroxymethyl)-4-(4-methoxyphenyl)pyrrolidine-1-carboxylate |
| InChIKey | JGBZZPRNSPAPFF-ZFWWWQNUSA-N |
| INCHI | 1S/C17H25NO4/c1-17(2,3)22-16(20)18-9-13(11-19)15(10-18)12-5-7-14(21-4)8-6-12/h5-8,13,15,19H,9-11H2,1-4H3/t13-,15-/m0/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C2=CC=C(C=C2)OC)CO |
| PubChem CID | 25220555 |
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 | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Pyrrolidine carboxylic acids Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyrroles Carbamate esters Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpyrrolidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Pyrrole - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 307.400 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 307.178 Da |
| Monoisotopic Mass | 307.178 Da |
| Topological Polar Surface Area | 59.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 371.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
