2-(Bromomethyl)tetrahydro-2H-pyran - ≥98% , CAS No.34723-82-5

CAS: 34723-82-5 Cat. No.: B169755 Peso molecular: 179.05 Número EC: 628-186-4

GRADE & PURITY ≥98%

Synonyms

2H-Pyran, 2-(bromomethyl)tetrahydro- | SCHEMBL241360 | 9BYT763GMT | DTXSID4022286 | UNII-9BYT763GMT | 2-(bromomethyl)-tetrahydro-2H-pyran | 2-(bromomethyl)tetrahydro-2-H-pyran | 2-(Bromomethyl)tetrahydro-2H-pyran | FT-0760178 | (bromomethyl) tetrahydro-2H

Storage

Room temperature

Shipped In

Normal

Descripción general

Cross-coupling reaction of 2-(bromomethyl)tetrahydro-2H-pyran with potassium heteroaryltrifluoroborates has been investigated.；
2-(Bromomethyl)tetrahydro-2H-pyran has been used in the preparation of tellurated heterocycles, 2-[(2-thienyltelluro)methyl]tetrahydrofuran and [(2-thienyltelluro)methyl]tetrahydro-2H-pyran.

Specifications

Sinónimos

2H-Pyran, 2-(bromomethyl)tetrahydro- | SCHEMBL241360 | 9BYT763GMT | DTXSID4022286 | UNII-9BYT763GMT | 2-(bromomethyl)-tetrahydro-2H-pyran | 2-(bromomethyl)tetrahydro-2-H-pyran | 2-(Bromomethyl)tetrahydro-2H-pyran | FT-0760178 | (bromomethyl) tetrahydro-2H

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488188126
• Sonrisas canónicas: C1CCOC(C1)CBr
• IUPAC Name: 2-(bromomethyl)oxane
• InChIKey: MHNWCBOXPOLLIB-UHFFFAOYSA-N
• INCHI: 1S/C6H11BrO/c7-5-6-3-1-2-4-8-6/h6H,1-5H2
• Isómeros SMILES: C1CCOC(C1)CBr
• WGK Alemania: 3
• Peso molecular: 179.05
• Reaxy-Rn: 102997
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102997&ln=

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: Oxacyclic compounds Dialkyl ethers Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aliphatic heteromonocyclic 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

• Índice de refracción: 1.489
• Punto de inflamación (°F): 149 °F
• Punto de inflamación (°C): 65 °C
• Punto de ebullición (°C): 153℃
• Punto de fusión (°C): −59-−58 °C
• Peso molecular: 179.050 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 177.999 Da
• Monoisotopic Mass: 177.999 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 65.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1