tert-butyl (1R,5R)-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate - ≥97% , CAS No.370880-27-6

CAS: 370880-27-6 Cat. No.: T633723 Molecular Weight: 198.26

GRADE & PURITY ≥97%

Synonyms

tert-butyl (1R,5R)-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate | 370880-27-6 | SCHEMBL3338925 | (1r,5r)-tert-butyl 2,6-diazabicyclo[3.2.0]heptane-2-carboxylate | AKOS006335338 | E80019

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

tert-butyl (1R, 5R)-2, 6-diazabicyclo[3.2.0]heptane-2-carboxylate | 370880-27-6 | SCHEMBL3338925 | (1r, 5r)-tert-butyl 2, 6-diazabicyclo[3.2.0]heptane-2-carboxylate | AKOS006335338 | E80019

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCC2C1CN2
• IUPAC Name: tert-butyl (1R,5R)-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
• InChIKey: WFUBKOZDTGFCJO-HTQZYQBOSA-N
• INCHI: 1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-4-7-8(12)6-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m1/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CN2
• Molecular Weight: 198.26
• Reaxy-Rn: 31342429
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31342429&ln=

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: 1,4-diazepanes Carbamate esters Tertiary amines Azetidines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Pyrrolidine carboxylic acid - 1,4-diazepane - Diazepane - Carbamic acid ester - Azetidine - Tertiary amine - Secondary aliphatic amine - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Amine - 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