936329-94-1 | Potassium (morpholin-4-yl)methyltrifluoroborate

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$8.00	$5.00
1g	95%	in stock	$28.00	$19.00
5g	95%	in stock	$78.00	$54.00

Description

• Catalog Number: AC82215
• Chemical Name: Potassium (morpholin-4-yl)methyltrifluoroborate
• CAS Number: 936329-94-1
• Molecular Formula: C5H10BF3KNO
• Molecular Weight: 207.0435
• MDL Number: MFCD10566512
• SMILES: F[B-](CN1CCOCC1)(F)F.[K+]

Computed Properties

• Complexity: 128
• Covalently-Bonded Unit Count: 2
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1

Upstream Synthesis Route

To synthesize Potassium (morpholin-4-yl)methyltrifluoroborate, one would typically start from 4-hydroxymethylmorpholine. The synthesis route involves the following steps:

1. Protection of the hydroxyl group of 4-hydroxymethylmorpholine using a suitable protecting group, such as a silyl ether, to prevent interference in subsequent steps.

2. Introduction of the trifluoroborate functionality is commonly achieved by the reaction of the protected morpholine derivative with a trifluoroborating agent like trifluoroborane (BF3) in the presence of a methylation source, such as methyl iodide or dimethyl sulfate, to yield a protected morpholinylmethyltrifluoroborate.

3. The protective group is then removed under acidic or basic conditions, depending on the type of protective group used, to yield the free alcohol.

4. Finally, the alcohol is treated with an appropriate boron trifluoride agent to form the morpholin-4-ylmethyltrifluoroborate, which is then neutralized with potassium carbonate or another suitable potassium source to yield the target compound, Potassium (morpholin-4-yl)methyltrifluoroborate.

It's important to note that each of these steps should be optimized for yield, purity, and reaction conditions (e.g., temperature, solvent, time). The intermediates and final product should be characterized thoroughly by NMR, IR, and possibly mass spectrometry or elemental analysis, to confirm their structures and purities.