8-tert-butoxycarbonyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid - ≥97% , CAS No.2309122-41-4

CAS: 2309122-41-4 Cat. No.: T632763 Molecular Weight: 253.29 PubChem CID: 18401005

GRADE & PURITY ≥97%

Synonyms

2309122-41-4 | 8-tert-butoxycarbonyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid | 8-(tert-Butoxycarbonyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid | MFCD24473689 | D97014 | EN300-1266127 | 8-Boc-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid | 8

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2309122-41-4 | 8-tert-butoxycarbonyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid | 8-(tert-Butoxycarbonyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid | MFCD24473689 | D97014 | EN300-1266127 | 8-Boc-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid | 8

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1C2CCC1C(=CC2)C(=O)O
• IUPAC Name: 8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic acid
• InChIKey: WONKOBXMPJFGDL-UHFFFAOYSA-N
• INCHI: 1S/C13H19NO4/c1-13(2,3)18-12(17)14-8-4-6-9(11(15)16)10(14)7-5-8/h6,8,10H,4-5,7H2,1-3H3,(H,15,16)
• Isomeric SMILES: CC(C)(C)OC(=O)N1C2CCC1C(=CC2)C(=O)O
• PubChem CID: 18401005
• Molecular Weight: 253.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: Heterocyclic fatty acids Branched fatty acids Unsaturated fatty acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Pyrrolidine carboxylic acid - Heterocyclic fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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