Trimethylene Oxide - ≥98%(GC) , CAS No.503-30-0

CAS: 503-30-0 Cat. No.: T162173 Peso molecular: 58.08 Beilstein Registry Number: 102382 Número EC: 207-964-3 PubChem CID: 10423

GRADE & PURITY ≥98%(GC)

Synonyms

EN300-128688 | MFCD00005167 | Oxetane | PROPYLENE OXIDE, 1,3- | Oxetan | Q-201891 | FT-0658954 | Q418107 | Trimethylene oxide, purum, >=97.0% (GC) | alpha,gamma-Propane oxide | Propane, 1,3-epoxy- | BB 0261512 | NSC 30086 | 1,3-EPOXYPROPANE [HSDB] | CCRIS

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Trimethylene oxide useful for the synthesis of 3-substituted propanols by reaction with Grignards or organolithiums in the presence of CuBr. Trimethylene oxide is a strained cyclic ether which can be used to replace carbonyl / gem-dimethyl groups during molecular modelling of bioactive molecules. It can be incorporated in various bioactive molecule and drug substances for its improved physicochemical properties, via novel C-H activation methods. Trimethylene oxide can also be used in the synthesis of poly(trimethylene oxide) and related polymer electrolytes.

Specifications

Sinónimos

EN300-128688 | MFCD00005167 | Oxetane | PROPYLENE OXIDE, 1, 3- | Oxetan | Q-201891 | FT-0658954 | Q418107 | Trimethylene oxide, purum, >=97.0% (GC) | alpha, gamma-Propane oxide | Propane, 1, 3-epoxy- | BB 0261512 | NSC 30086 | 1, 3-EPOXYPROPANE [HSDB] | CCRIS

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(GC)

Nombres e identificadores

• Sonrisas canónicas: C1COC1
• IUPAC Name: oxetane
• InChIKey: AHHWIHXENZJRFG-UHFFFAOYSA-N
• INCHI: 1S/C3H6O/c1-2-4-3-1/h1-3H2
• Isómeros SMILES: C1COC1
• WGK Alemania: 1
• RTECS: RQ6825000
• PubChem CID: 10423
• Número ONU: 1280
• Grupo de embalaje: I
• Peso molecular: 58.08
• Beilstein: 102382
• Reaxy-Rn: 102382

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxetanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxetanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxetanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxetane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxetanes. These are compounds containing an oxetane ring, which is a four-member saturated aliphatic ring with an oxygen, and three carbon atoms.
• External Descriptors: saturated organic heteromonocyclic parent - oxetanes

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air、Moisture、heat sensitive
• Índice de refracción: 1.393
• Punto de inflamación (°F): -18°F
• Punto de inflamación (°C): -28°C
• Punto de ebullición (°C): 49-50℃
• Punto de fusión (°C): -97℃
• Peso molecular: 58.080 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 58.0419 Da
• Monoisotopic Mass: 58.0419 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 17.200
• 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