2416056-30-7 | potassium;(2,2-difluorocyclopropyl)-trifluoro-boranuide

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$113.00	$79.00
250mg	98%	in stock	$151.00	$106.00
1g	98%	in stock	$374.00	$262.00
5g	98%	in stock	$1,254.00	$878.00

Description

• Catalog Number: BA05224
• Chemical Name: potassium;(2,2-difluorocyclopropyl)-trifluoro-boranuide
• CAS Number: 2416056-30-7
• Molecular Formula: C3H3BF5K
• Molecular Weight: 183.9572
• MDL Number: MFCD31615914
• SMILES: F[B-](C1CC1(F)F)(F)F.[K+]

Upstream Synthesis Route

To synthesize potassium;(2,2-difluorocyclopropyl)-trifluoro-boranuide, the process generally starts with the preparation of organocyclopropyl precursor, which is then treated with a fluorination agent to introduce fluorine atoms into the structure. The fluorinated cyclopropyl intermediate is subsequently reacted with a borane source under controlled conditions to introduce the boranuide (-BH3) moiety. Final treatment with a potassium-containing reagent would provide the potassium salt of the desired compound.

1. Synthesis of the cyclopropyl precursor: Start with a suitable dihalocyclopropane derivative and a strong base to form the cyclopropyl anion which is then reacted with an appropriate electrophile to introduce necessary functional groups.

2. Fluorination: React the cyclopropyl precursor with a fluorinating agent such as Deoxo-Fluor or DAST (diethylaminosulfur trifluoride) to replace hydrogen atoms with fluorine, forming 2,2-difluorocyclopropyl intermediates.

3. Introduction of Boron: Treat the difluorocyclopropyl derivative with a borane compound such as BH3.THF or a borohydride exchange reaction to introduce the boranuide moiety, creating (2,2-difluorocyclopropyl)trifluoroborane.

4. Formation of Potassium Salt: React the trifluoroborane with a potassium reagent like potassium hydride (KH) in an inert atmosphere, displacing hydrogen and forming the potassium salt, potassium;(2,2-difluorocyclopropyl)-trifluoro-boranuide.

This synthetic route highlights a multi-step sequence starting from readily accessible cyclopropane derivatives, proceeding through regioselective fluorination, subsequent organoboron chemistry, and finally cation exchange to achieve the target molecule. Each step requires careful control of reaction conditions, stoichiometry, and purification methods to ensure the synthesis of the final compound with high purity.