(S)-1-FMOC-3-Pyrrolidinol - ≥95% , CAS No.215178-38-4

CAS: 215178-38-4 Cat. No.: I168605 Molecular Weight: 309.36 EC Number: 633-667-7 PubChem CID: 16217955

GRADE & PURITY ≥95%

Synonyms

9H-Fluoren-9-ylmethyl (3S)-3-hydroxy-1-pyrrolidinecarboxylate | EN300-5103050 | (S)-1-(9-Fluorenylmethoxycarbonyl)-3-pyrrolidinol | 9H-fluoren-9-ylmethyl (3S)-3-hydroxypyrrolidine-1-carboxylate | (S)-(+)-1-Fmoc-3-hydroxypyrrolidine | MFCD01317842 | SCHEMB

Storage

Room temperature

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

9H-Fluoren-9-ylmethyl (3S)-3-hydroxy-1-pyrrolidinecarboxylate | EN300-5103050 | (S)-1-(9-Fluorenylmethoxycarbonyl)-3-pyrrolidinol | 9H-fluoren-9-ylmethyl (3S)-3-hydroxypyrrolidine-1-carboxylate | (S)-(+)-1-Fmoc-3-hydroxypyrrolidine | MFCD01317842 | SCHEMB

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488199272
• Canonical Smiles: C1CN(CC1O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• IUPAC Name: 9H-fluoren-9-ylmethyl (3S)-3-hydroxypyrrolidine-1-carboxylate
• InChIKey: KPDNZJQVYQCDJW-ZDUSSCGKSA-N
• INCHI: 1S/C19H19NO3/c21-13-9-10-20(11-13)19(22)23-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,21H,9-12H2/t13-/m0/s1
• Isomeric SMILES: C1CN(C[C@H]1O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• WGK Germany: 3
• PubChem CID: 16217955
• Molecular Weight: 309.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Pyrrolidine carboxylic acids Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Carbonic acid derivative - Secondary alcohol - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 106-110 °C
• Molecular Weight: 309.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 309.136 Da
• Monoisotopic Mass: 309.136 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 418.000
• 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