Potassium (E)-trifluoro(1-propenyl)borate
Product Information
Molecular Formula
C3H5BF3K
Molecular Weight
147.98
Description
Potassium trans-1-propenyltrifluoroborate can be used:• As a substrate in the cross-coupling reactions with 2-(chloromethyl)-2,1-borazaronaphthalenes to yield allyl borazaronaphthalenes using a palladium catalyst.• In the synthesis of anethole dithiolethione-NH2 (ADT-NH2), which in turn is used to prepare a drug-H2S delivery system.• To prepare methyl (E)-2,2-dimethyl-5-(propen-1-yl)-4H-benzo[d][1,3]dioxine-7-carboxylate, a key intermediate for the synthesis of the alkaloid ampullosine.
Synonyms
Borate(1-), trifluoro-(1E)-1-propen-1-yl-, potassium (1:1), (T-4)-; Potassium trans-1-propenyltrifluoroborate; Potassium (E)-propenyl-1-trifluoroborate
IUPAC Name
potassium;(E)-trifluoro(prop-1-en-1-yl)borate
SMILES
[K+].[F-][B+3]([F-])([F-])[CH-]=CC
InChI
InChI=1S/C3H5BF3.K/c1-2-3-4(5,6)7;/h2-3H,1H3;/q-1;+1
InChI Key
RLDWVFWDURMTAV-UHFFFAOYSA-N
Melting Point
81-85°C
Flash Point
Not applicable
Purity
95%
Related CAS
804565-39-7 (Deleted CAS) 1902198-17-7 (free acid) 951039-45-5 (Z-isomer)
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
148.0073463 g/mol
Monoisotopic Mass
148.0073463 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
77.1
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 2019-12-24 |
| US-2021171535-A1 | Tricyclic heterocycles as fgfr inhibitors | 2019-12-04 |
| WO-2021113479-A1 | Tricyclic heterocycles as fgfr inhibitors | 2019-12-04 |
| US-2021246118-A1 | Substituted pyrimidinones as agonists of the apj receptor | 2018-05-01 |
| US-2020308189-A1 | Fused triazole agonists of the apj receptor | 2017-11-03 |
| EP-3704122-B1 | Fused triazole agonists of the apj receptor | 2017-11-03 |
| US-11149040-B2 | Fused triazole agonists of the APJ receptor | 2017-11-03 |
| EP-3541803-A1 | Triazole pyridyl compounds as agonists of the apj receptor | 2016-11-16 |
| EP-3541805-A1 | Heteroaryl-substituted triazoles as apj receptor agonists | 2016-11-16 |
| EP-3541810-A1 | Triazole phenyl compounds as agonists of the apj receptor | 2016-11-16 |
