CAS 804565-39-7 Potassium trans-1-propenyltrifluoroborate

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Potassium trans-1-propenyltrifluoroborate

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Catalog Number

ACM804565397

CAS Number

804565-39-7

Product Name

Potassium trans-1-propenyltrifluoroborate

Category

Salt

IUPAC Name

potassium;trifluoro-[(E)-prop-1-enyl]boranuide

Molecular Weight

147.98g/mol

Molecular Formula

C3H5BF3K

Canonical SMILES

[B-](C=CC)(F)(F)F.[K+]

InChI

InChI=1S/C3H5BF3.K/c1-2-3-4(5,6)7;/h2-3H,1H3;/q-1;+1/b3-2+;

InChI Key

RLDWVFWDURMTAV-SQQVDAMQSA-N

Application

Potassium trans-1-propenyltrifluoroborate serves as a versatile reagent in various chemical syntheses and reactions. It functions as a substrate in cross-coupling reactions with 2-(chloromethyl)-2,1-borazaronaphthalenes, facilitated by a palladium catalyst, to produce allyl borazaronaphthalenes. Additionally, it plays a vital role in the synthesis of anethole dithiolethione-NH2 (ADT-NH2), which is essential for developing a drug-H2S delivery system. Furthermore, it is used in the preparation of methyl (E)-2,2-dimethyl-5-(propen-1-yl)-4H-benzo[d][1,3]dioxine-7-carboxylate, an important intermediate in the production of the alkaloid ampullosine.

Complexity

77.1

Covalently-Bonded Unit Count

Exact Mass

148.007346g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

148.007346g/mol

Rotatable Bond Count

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