4-Bromotetrahydropyran - ≥97% , CAS No.25637-16-5

CAS: 25637-16-5 Cat. No.: B169075 Molecular Weight: 165.03 EC Number: 687-292-9

GRADE & PURITY ≥97%

Synonyms

4-BROMOOXACYCLOHEXANE | BBL102637 | B5600 | SUN208 | W-206965 | 4-Bromooxacyclohexane, 4-Bromotetrahydro-2H-pyran | DTXSID00537841 | EN300-154517 | GS-4332 | 4-bromooxane | MFCD07371501 | BML3-F02 | Dexrazoxane hydrochloride [VANDF] | 5-Hydroxy-1H-indole-

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Application：

Reactant for:

Nickel-catalyzed alkyl-alkyl Suzuki coupling reactions with boron reagents

Preparation of a selective small-molecule melanocortin-4 receptor agonist with efficacy in a pilot study of sexual dysfunction in humans

Preparation of aliphatic hydrocarbons via nickel-catalyzed Suzuki cross-coupling with alkylboranes

Preparation of anthranilic acids as antibacterial agents with human serum albumin binding affinity

Preparation of antiatherogenic antioxidant di-tert-butyldihydrobenzofuranols via Grignard reactions with di-tert-butyl(hydroxy)benzaldehyde derivatives

Synthesis of gephyrotoxin via the Schmidt reaction

Specifications

Synonyms

4-BROMOOXACYCLOHEXANE | BBL102637 | B5600 | SUN208 | W-206965 | 4-Bromooxacyclohexane, 4-Bromotetrahydro-2H-pyran | DTXSID00537841 | EN300-154517 | GS-4332 | 4-bromooxane | MFCD07371501 | BML3-F02 | Dexrazoxane hydrochloride [VANDF] | 5-Hydroxy-1H-indole-

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488198413
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198413
• Canonical Smiles: C1COCCC1Br
• IUPAC Name: 4-bromooxane
• InChIKey: IVBVKTPDEWDNRW-UHFFFAOYSA-N
• INCHI: 1S/C5H9BrO/c6-5-1-3-7-4-2-5/h5H,1-4H2
• Isomeric SMILES: C1COCCC1Br
• Molecular Weight: 165.03
• Reaxy-Rn: 102798
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102798&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Refractive Index: 1.5
• Flash Point(°C): 71 °C
• Boil Point(°C): 61 °C/15 mmHg
• Molecular Weight: 165.030 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 163.984 Da
• Monoisotopic Mass: 163.984 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 50.000
• 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