(6S)-4-tert-butoxycarbonyl-1,4-oxazepane-6-carboxylic acid - ≥97% , CAS No.2165883-65-6

CAS: 2165883-65-6 Cat. No.: T631843 Molecular Weight: 245.27 PubChem CID: 97135867

GRADE & PURITY ≥97%

Synonyms

2165883-65-6 | (6S)-4-tert-butoxycarbonyl-1,4-oxazepane-6-carboxylic acid | E83427 | (S)-4-(TERT-BUTOXYCARBONYL)-1,4-OXAZEPANE-6-CARBOXYLIC ACID

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2165883-65-6 | (6S)-4-tert-butoxycarbonyl-1, 4-oxazepane-6-carboxylic acid | E83427 | (S)-4-(TERT-BUTOXYCARBONYL)-1, 4-OXAZEPANE-6-CARBOXYLIC ACID

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCOCC(C1)C(=O)O
• IUPAC Name: (6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepane-6-carboxylic acid
• InChIKey: AGHHOHWABGIJAB-QMMMGPOBSA-N
• INCHI: 1S/C11H19NO5/c1-11(2,3)17-10(15)12-4-5-16-7-8(6-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
• PubChem CID: 97135867
• Molecular Weight: 245.27

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: Carbamate esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Para-oxazepine - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic 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