426844-51-1 | 4,4-Difluoro-L-prolinamide, HCl

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$17.00	$12.00
1g	97%	in stock	$23.00	$16.00
5g	97%	in stock	$106.00	$74.00
10g	97%	in stock	$210.00	$147.00
25g	97%	in stock	$480.00	$336.00

Description

• Catalog Number: AB56122
• Chemical Name: 4,4-Difluoro-L-prolinamide, HCl
• CAS Number: 426844-51-1
• Molecular Formula: C5H9ClF2N2O
• Molecular Weight: 186.5876
• MDL Number: MFCD06797014
• SMILES: NC(=O)[C@H]1NCC(C1)(F)F.Cl

Computed Properties

• Complexity: 160
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 3
• Rotatable Bond Count: 1

Upstream Synthesis Route

The synthesis of 4,4-Difluoro-L-prolinamide, HCl can be achieved through the following steps:

1. **Starting Material**: The starting material for this synthesis would typically be 4,4-Difluoropyrrolidine-2-carboxylic acid. This compound can be derived from the corresponding diketone via reductive amination and subsequent reduction of the ketone group.

2. **Amide Formation**: Convert the carboxylic acid group to an amide by reacting with ammonia or an amine derivative under dehydrating conditions. Common dehydrating agents for such reactions include carbodiimides like DCC (Dicyclohexylcarbodiimide) or EDC (1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide).

3. **Hydrochloride Formation**: Protonate the amide nitrogen with hydrochloric acid in an appropriate solvent like dichloromethane. This step forms the hydrochloride salt, which is often more soluble and easier to handle, particularly if the free base has poor solubility or stability.

4. **Purification**: Standard purification techniques like recrystallization or column chromatography can be employed. In this case, recrystallization from a non-hydroscopic solvent might be preferable to avoid the absorption of moisture and ensuring the purity of the hydrochloride salt.

Throughout all steps, it is critical to maintain an inert atmosphere, typically with nitrogen or argon, to prevent reaction with atmospheric moisture or oxygen. Also, the chiral integrity of L-prolinamide must be maintained, warranting the use of enantiopure starting materials and reagents.