tert-butyl (7R,8aR)-7-hydroxy-octahydropyrrolo[1,2-a]piperazine-2-carboxylate - ≥97% , CAS No.2165768-48-7

CAS: 2165768-48-7 Cat. No.: T631831 Molecular Weight: 242.32 PubChem CID: 95169454

GRADE & PURITY ≥97%

Synonyms

2165768-48-7 | tert-butyl (7R,8aR)-7-hydroxy-octahydropyrrolo[1,2-a]piperazine-2-carboxylate | tert-Butyl (7R,8aR)-7-hydroxyhexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate | MFCD31743232 | E73592 | W14324 | tert-Butyl(7R,8aR)-7-hydroxyhexahydropyrrolo[1

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2165768-48-7 | tert-butyl (7R, 8aR)-7-hydroxy-octahydropyrrolo[1, 2-a]piperazine-2-carboxylate | tert-Butyl (7R, 8aR)-7-hydroxyhexahydropyrrolo[1, 2-a]pyrazine-2(1H)-carboxylate | MFCD31743232 | E73592 | W14324 | tert-Butyl(7R, 8aR)-7-hydroxyhexahydropyrrolo[1

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCN2CC(CC2C1)O
• IUPAC Name: tert-butyl (7R,8aR)-7-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
• InChIKey: SZLUJRHLIZAWGS-NXEZZACHSA-N
• INCHI: 1S/C12H22N2O3/c1-12(2,3)17-11(16)14-5-4-13-8-10(15)6-9(13)7-14/h9-10,15H,4-8H2,1-3H3/t9-,10-/m1/s1
• PubChem CID: 95169454
• Molecular Weight: 242.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines
        • Level5 Piperazine carboxylic acids and derivatives
          • Level6 Piperazine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Piperazine carboxylic acids and derivatives
• Direct Parent: Piperazine carboxylic acids
• Alternative Parents: N-alkylpiperazines N-alkylpyrrolidines Carbamate esters Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Piperazine-1-carboxylic acid - N-alkylpiperazine - N-alkylpyrrolidine - Pyrrolidine - Carbamic acid ester - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
• 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