tert-butyl 10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxylate - ≥97% , CAS No.1160248-54-3

CAS: 1160248-54-3 Cat. No.: T627061 Molecular Weight: 256.3 PubChem CID: 71305885

GRADE & PURITY ≥97%

Synonyms

TERT-BUTYL 10-OXO-3-OXA-7,9-DIAZABICYCLO[3.3.2]DECANE-7-CARBOXYLATE | 1160248-54-3 | AM805479 | F88183 | Tert-butyl10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxylate

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

TERT-BUTYL 10-OXO-3-OXA-7, 9-DIAZABICYCLO[3.3.2]DECANE-7-CARBOXYLATE | 1160248-54-3 | AM805479 | F88183 | Tert-butyl10-oxo-3-oxa-7, 9-diazabicyclo[3.3.2]decane-7-carboxylate

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CC2COCC(C1)NC2=O
• IUPAC Name: tert-butyl 10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carboxylate
• InChIKey: BAFSZFFNJNSJOE-UHFFFAOYSA-N
• INCHI: 1S/C12H20N2O4/c1-12(2,3)18-11(16)14-4-8-6-17-7-9(5-14)13-10(8)15/h8-9H,4-7H2,1-3H3,(H,13,15)
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC2COCC(C1)NC2=O
• PubChem CID: 71305885
• Molecular Weight: 256.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazepines
      • Subclass 1,4-oxazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazepines
• Subclass: 1,4-oxazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-oxazepines
• Alternative Parents: 1,4-diazepanes Carbamate esters Secondary carboxylic acid amides Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: 1,4-diazepane - Para-oxazepine - Diazepane - Carbamic acid ester - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-oxazepines. These are organic compounds containing an aromatic seven-membered wring containing a nitrogen and an oxygen atom, a positions 1 and 4, respectively.
• 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