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1-Methylpyrazole-4-boronic acid pinacol ester

1-Methylpyrazole-4-boronic acid pinacol ester - CAS 761446-44-0

Catalog:	BB035504
Product Name:	1-Methylpyrazole-4-boronic acid pinacol ester
CAS:	761446-44-0
Synonyms:	1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; (1-Methyl-1H-pyrazol-4-yl)boronic Acid Pinacol Ester; 2-(1-Methylpyrazol-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-methylpyrazole; 2-(1-METHYLPYRAZOL-4-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE; 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 1-methyl-1H-pyrazol-4-ylboronate

1-Methylpyrazole-4-boronic acid pinacol ester

Technical Data

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Computed Properties

IUPAC Name:	1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Description:	1-Methylpyrazole-4-boronic Acid Pinacol Ester is a reagent used in pharmaceutical synthesis, including the preparation of selective and orally bioavailable LRRK2 inhibitors used in the treatment of Parkinsons's disease.
Molecular Weight:	208.06
Molecular Formula:	C10H17BN2O2
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C
InChI:	InChI=1S/C10H17BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h6-7H,1-5H3
InChI Key:	UCNGGGYMLHAMJG-UHFFFAOYSA-N
Boiling Point:	308.3±15.0 °C (Predicted)
Melting Point:	59-64 °C
Flash Point:	Not applicable
Purity:	98 % (HPLC)
Density:	1.050±0.10 g/cm³ (Predicted)
Solubility:	Slightly soluble in Water, Chloroform, Methanol
Appearance:	White to yellowish crystal powder
Storage:	2-8 °C
MDL:	MFCD03789259
LogP:	0.71930

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