1-Boc-pyrazole-4-boronic acid pinacol ester

Inquiry

Molecular Formula:

C14H23BN2O4

Molecular Weight:

294.15

Product Information

Molecular Formula:

C14H23BN2O4

Molecular Weight:

294.15

Description

Reagent used for• Suzuki Coupling • Copper-catalyzed azidation Reagent used in Preparation of• Selective quinazolinyl-phenol inhibitors of CHK1 as potential antitumors and radioprotectants • Stereoselective synthesis of selective Cathepsin inhibitors

Synonyms

1,1-dimethylethyl ester 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Pyrazole-1-carboxylic acid,1-tert-Butoxycarbonyl-4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)pyrazole,1-Boc-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole,1-Boc-4-pyrazoleboronic acid pinacol ester,4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-Boc-pyrazole,4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylic acid tert-butyl ester,tert-Butyl 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolecarboxylate,[1-(tert-Butoxycarbonyl)-1H-pyrazol-4-yl]boronic acid pinacol ester

IUPAC Name

tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C14H23BN2O4/c1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h8-9H,1-7H3

InChI Key

IPISOFJLWYBCAV-UHFFFAOYSA-N

Melting Point

82-86 °C (lit.)

Flash Point

Not applicable

Purity

97%

Storage

2-8°C

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

294.1750874 g/mol

Monoisotopic Mass

294.1750874 g/mol

Topological Polar Surface Area

62.6Å²

Heavy Atom Count

Formal Charge

Complexity

404

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-2022028598-A1	Atr inhibitors and uses thereof	2020-08-07
WO-2022032223-A1	Compositions and methods for the treatment and diagnosis of cancer	2020-08-07
CN-111808079-A	Indole ASK1 small molecule inhibitor and preparation method and application thereof	2020-08-05
CN-112010860-A	Benzyloxypyrazolopyrimidine compounds, pharmaceutical compositions and uses thereof	2020-08-05
WO-2022020887-A1	Treatment of cd151 related disorders	2020-07-27
WO-2022020888-A1	Compounds	2020-07-27
WO-2022020889-A1	Method of treatment of cytomegalovirus	2020-07-27
WO-2022020890-A1	Treatment of veterinary conditions associated with cd151	2020-07-27
WO-2022020891-A1	Methods of prophylaxis and treatment of corona virus	2020-07-27
CN-113929678-A	ROCK inhibitor and preparation method and application thereof	2020-07-14

Literatures

PMID	Publication Date	Title	Journal
7095	1976-01-01	Reduction of psychotomimetic side effects of Ketalar (ketamine) by Rohypnol (flunitrazepam). A randomized, double-blind trial	Acta anaesthesiologica Scandinavica

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