O4-tert-butyl O3-methyl 1,4-oxazepane-3,4-dicarboxylate - ≥97% , CAS No.1374652-85-3

CAS: 1374652-85-3 Cat. No.: O628692 Molecular Weight: 259.3 PubChem CID: 89764975

GRADE & PURITY ≥97%

Synonyms

SCHEMBL15207132 | SY312322 | E88560 | Methyl (S)-4-Boc-1,4-oxazepane-3-carboxylate | 4-TERT-BUTYL 3-METHYL 1,4-OXAZEPANE-3,4-DICARBOXYLATE | 1374652-85-3 | 2087541-56-6

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SCHEMBL15207132 | SY312322 | E88560 | Methyl (S)-4-Boc-1, 4-oxazepane-3-carboxylate | 4-TERT-BUTYL 3-METHYL 1, 4-OXAZEPANE-3, 4-DICARBOXYLATE | 1374652-85-3 | 2087541-56-6

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)OC(=O)N1CCCOCC1C(=O)OC
• IUPAC Name: 4-O-tert-butyl 3-O-methyl 1,4-oxazepane-3,4-dicarboxylate
• InChIKey: QUPLCOBSVYZJAP-UHFFFAOYSA-N
• INCHI: 1S/C12H21NO5/c1-12(2,3)18-11(15)13-6-5-7-17-8-9(13)10(14)16-4/h9H,5-8H2,1-4H3
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCCOCC1C(=O)OC
• PubChem CID: 89764975
• Molecular Weight: 259.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: 1,4-oxazepines Methyl esters Carbamate esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - Para-oxazepine - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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