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Potassium (4-methoxy)benzyloxymethyltrifluoroborate

Potassium (4-methoxy)benzyloxymethyltrifluoroborate

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Molecular Formula:

C9H11BF3KO2

Molecular Weight:

258.087

CAS Number:

1027642-26-7

Catalog Number:

B2699-303740

Catalog Number	Size	Price	Stock	Quantity
B2699-303740	5 g	$199	In stock

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Product Information

Molecular Formula:

C9H11BF3KO2

Molecular Weight:

258.087

Description

Alkoxymethyltrifluoroborate undergoes palladium-catalyzed carbon-carbon bond formation (Suzuki-Miyuara reaction) with aryl chlorides to provide a non-traditional disconnection for the preparation of aryl- and heteroaryl ethers.

Synonyms

Potassium trifluoro(((4-methoxybenzyl)oxy)methyl)borate

IUPAC Name

potassium;trifluoro-[(4-methoxyphenyl)methoxymethyl]boranuide

Canonical SMILES

[B-](COCC1=CC=C(C=C1)OC)(F)(F)F.[K+]

InChI

InChI=1S/C9H11BF3O2.K/c1-14-9-4-2-8(3-5-9)6-15-7-10(11,12)13;/h2-5H,6-7H2,1H3;/q-1;+1

InChI Key

HWHMOMQODHUMRW-UHFFFAOYSA-N

Melting Point

203-213 °C

Flash Point

Not applicable

Purity

95 %

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

258.0441257 g/mol

Monoisotopic Mass

258.0441257 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

184

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Potassium (4-methoxy)benzyloxymethyltrifluoroborate

Product Information

Safety Information

Computed Properties

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