17515-77-4 | 2-(Bromomethyl)-5-(trifluoromethyl)furan

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$21.00	$15.00
1g	95%	in stock	$26.00	$18.00
5g	95%	in stock	$58.00	$41.00
25g	95%	in stock	$235.00	$165.00
100g	95%	in stock	$760.00	$532.00

Description

• Catalog Number: AA93589
• Chemical Name: 2-(Bromomethyl)-5-(trifluoromethyl)furan
• CAS Number: 17515-77-4
• Molecular Formula: C6H4BrF3O
• Molecular Weight: 228.9946
• MDL Number: MFCD03086219
• SMILES: BrCc1ccc(o1)C(F)(F)F

Computed Properties

• Complexity: 136
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• XLogP3: 2.5

Upstream Synthesis Route

The upstream synthesis of 2-(Bromomethyl)-5-(trifluoromethyl)furan can be achieved through the following steps:

1. **Starting Material:** Begin with 5-(Trifluoromethyl)furfural, which is readily available or can be synthesized from 5-halogenated furfural by introducing the trifluoromethyl group using a reagent such as (trifluoromethyl)trimethylsilane with a suitable catalyst like palladium on carbon (Pd/C) in the presence of a base.

2. **Reduction:** Convert the aldehyde group of 5-(Trifluoromethyl)furfural to the corresponding alcohol, 5-(trifluoromethyl)furan-2-ylmethanol, by using a reducing agent such as sodium borohydride (NaBH4) or lithium aluminum hydride (LiAlH4).

3. **Bromination:** Convert the hydroxyl group to a bromomethyl group by using a brominating reagent such as hydrobromic acid (HBr) in the presence of phosphorus tribromide (PBr3) or alternatively react with carbon tetrabromide (CBr4) and triphenylphosphine (PPh3).

Under carefully controlled conditions, the synthesis yields 2-(Bromomethyl)-5-(trifluoromethyl)furan. Each step should be followed by purification processes such as distillation or chromatography to ensure product fidelity.