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1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester

1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester

Inquiry

Molecular Formula:

C11H16BF3N2O2

Molecular Weight:

276.06

CAS Number:

1218790-53-4

Catalog Number:

1218790-53-4

Product Information

Molecular Formula:

C11H16BF3N2O2

Molecular Weight:

276.06

Description

Useful boronic acid pinacol ester for synthesis of various bioactive small molecules. This product was previously listed as BML00234.

Synonyms

1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)-1H-pyrazole

IUPAC Name

1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyrazole

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2C(F)(F)F)C

InChI

InChI=1S/C11H16BF3N2O2/c1-9(2)10(3,4)19-12(18-9)7-6-17(5)16-8(7)11(13,14)15/h6H,1-5H3

InChI Key

MUZZCKPFJNQCIH-UHFFFAOYSA-N

Melting Point

99-100 °C

Flash Point

Not applicable

Purity

≥97%

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

276.1256924 g/mol

Monoisotopic Mass

276.1256924 g/mol

Topological Polar Surface Area

36.3Å²

Heavy Atom Count

Formal Charge

Complexity

346

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

Patents

Publication Number	Title	Priority Date
WO-2021219578-A1	Antibacterial 8-phenylamino-3-(pyrazol-4-yl)imidazo[1,2-a]pyrazine derivatives	2020-04-29
US-2020290998-A1	Novel imidazole-pyrazole derivatives	2019-03-08
CN-113613722-A	Novel imidazole-pyrazole derivatives	2019-03-08
US-2020172534-A1	Compounds and compositions for treating conditions associated with sting activity	2018-07-03
TW-202014408-A	Compounds and compositions for treating disorders related to STING activity	2018-07-03
JP-2021529833-A	Compounds and compositions for treating conditions associated with STING activity	2018-07-03
CN-111194316-A	Pesticidal and parasiticidal pyrazole-isoxazoline compounds	2017-08-14
US-2020178531-A1	Pesticidal and parasiticidal pyrazole-isoxazoline compounds	2017-08-14
BR-112020003217-A2	pyrazolisoxazoline pesticide and parasiticide compounds	2017-08-14
EP-3423445-B1	Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis	2016-03-04

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1-Methyl-3-trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester

Product Information

Computed Properties

Patents

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