tert-butyl N-{1-formyl-2-oxabicyclo[2.2.2]octan-4-yl}carbamate - ≥97%

Cat. No.: T174072

GRADE & PURITY ≥97%

Synonyms

FT-0704128 | 1417551-42-8 | P14356 | tert-Butyl (1-formyl-2-oxabicyclo[2.2.2]octan-4-yl)carbamate | tert-butyl 1-formyl-2-oxa-bicyclo[2.2.2]octan-4-ylcarbamate | 4-(Boc-amino)-1-formyl-2-oxabicyclo[2.2.2]octane | SB13275 | DTXSID501132255 | MFCD27987296 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0704128 | 1417551-42-8 | P14356 | tert-Butyl (1-formyl-2-oxabicyclo[2.2.2]octan-4-yl)carbamate | tert-butyl 1-formyl-2-oxa-bicyclo[2.2.2]octan-4-ylcarbamate | 4-(Boc-amino)-1-formyl-2-oxabicyclo[2.2.2]octane | SB13275 | DTXSID501132255 | MFCD27987296 |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)NC12CCC(CC1)(OC2)C=O
• IUPAC Name: tert-butyl N-(1-formyl-2-oxabicyclo[2.2.2]octan-4-yl)carbamate
• InChIKey: FYKMPFXSXYJVDT-UHFFFAOYSA-N
• INCHI: 1S/C13H21NO4/c1-11(2,3)18-10(16)14-12-4-6-13(8-15,7-5-12)17-9-12/h8H,4-7,9H2,1-3H3,(H,14,16)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Carbamate esters Oxacyclic compounds Dialkyl ethers Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oxane - Carbamic acid ester - Oxacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aldehyde - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five 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

Propiedades químicas y físicas

• Peso molecular: 255.310 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 255.147 Da
• Monoisotopic Mass: 255.147 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 350.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1