Atomfair 2-(3-Bromophenoxy)tetrahydro-2H-pyran C11H13BrO2 CAS 57999-49-2

Description

2-(3-Bromophenoxy)tetrahydro-2H-pyran (CAS No. 57999-49-2) is a high-purity brominated organic compound with the molecular formula C₁₁H₁₃BrO₂. This chemical, also known by its IUPAC name 2-(3-bromophenoxy)oxane, is a versatile intermediate widely used in pharmaceutical synthesis, agrochemical research, and material science applications. The compound features a tetrahydropyran (oxane) ring ether-linked to a 3-bromophenyl group, offering unique reactivity for nucleophilic substitutions and cross-coupling reactions. Our product is rigorously tested to ensure >98% purity (GC) and is supplied in amber glass vials under inert atmosphere to maintain stability. Suitable for use in Suzuki-Miyaura couplings, etherification reactions, and as a building block for complex heterocyclic systems. Technical specifications include: Molecular Weight: 257.12 g/mol, Boiling Point: 315-317°C at 760 mmHg, Density: 1.42 g/cm³, and Refractive Index: 1.552. Storage recommendations: 2-8°C in dry, well-ventilated conditions.

Properties

• CAS Number: 57999-49-2
• Complexity: 175
• IUPAC Name: 2-(3-bromophenoxy)tetrahydropyran
• InChI: InChI=1S/C11H13BrO2/c12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11/h3-5,8,11H,1-2,6-7H2
• InChI Key: YDIPSMGGPVMCHP-UHFFFAOYSA-N
• Exact Mass: 256.00989
• Molecular Formula: C11H13BrO2
• Molecular Weight: 257.12
• SMILES: C1CCOC(C1)OC2=CC(=CC=C2)Br
• Topological: 18.5
• Monoisotopic Mass: 256.00989
• Synonyms: 2-(3-Bromophenoxy)tetrahydro-2H-pyran, 57999-49-2, DTXSID70407986, EC 429-030-6, DTXCID20358838, 429-030-6, 2-(3-bromophenoxy)oxane, 2-(3′-Bromophenoxy)tetrahydro-2H-pyran, 2-(3-Bromophenoxy)-tetrahydro-2H-pyran, 2-(3-bromophenoxy)tetrahydropyran, MFCD00094009, 3-(tetrahydropyran-2-yloxy)phenyl bromide, SCHEMBL2205861, 2-(3-bromophenoxyl)tetrahydropyran, AKOS005254910, 3-Bromo-1-(2-tetrahydropyranoxy)benzene, DB-053141, CS-0109452, NS00001537, ST50410993, 2-(3-Bromophenoxy)tetrahydro-2H-pyran, 97%, E89399, 1-(2H-3,4,5,6-tetrahydropyran-2-yloxy)-3-bromobenzene

Application

This brominated tetrahydropyran derivative serves as a key intermediate in medicinal chemistry for the development of CNS-active compounds and antiviral agents. Researchers utilize it in palladium-catalyzed cross-coupling reactions to create biphenyl derivatives for drug discovery. The compound’s ether linkage and bromo-substitution make it valuable for constructing molecular scaffolds in materials science, particularly for liquid crystal and polymer applications. It also finds use in agrochemical research as a precursor for novel pesticide formulations.

Safety and Hazards

GHS Hazard Statements

• H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
• H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501

Hazard Classes and Categories

• Skin sensitisation – category 1
• Hazardous to the aquatic environment – category 2

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