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716243

Sigma-Aldrich

1-Isopropyl-1H-pyrazole-4-boronic acid pinacol ester

97%

Synonym(s):

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

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About This Item

Empirical Formula (Hill Notation):
C12H21BN2O2
CAS Number:
879487-10-2
Molecular Weight:
236.12
MDL number:
MFCD11867881
UNSPSC Code:
12352103
PubChem Substance ID:
329763373
NACRES:
NA.22

Assay

97%

form

solid

mp

36-44 °C

storage temp.

2-8°C

SMILES string

CC(C)n1cc(cn1)B2OC(C)(C)C(C)(C)O2

InChI

1S/C12H21BN2O2/c1-9(2)15-8-10(7-14-15)13-16-11(3,4)12(5,6)17-13/h7-9H,1-6H3

InChI key

OGYYMVGDKVJYSU-UHFFFAOYSA-N

Related Categories

Application

1-Isopropyl-1H-pyrazole-4-boronic acid pinacol ester can be used as a reactant to synthesize:
  • Imidazo[1,2-a]pyrazine based phosphodiesterase 10A inhibitors.
  • Pyrido[3,4-d]pyrimidin-4-(3H)-one based KDM4 and KDM5 (histone lysine demethylase families) inhibitors.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

No data available

Flash Point(C)

No data available

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class I Designated Chemical Substances

JAN Code

716243-BULK:
716243-VAR:
716243-1G:
716243-250MG:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Cell penetrant inhibitors of the KDM4 and KDM5 families of histone lysine demethylases. 2. Pyrido [3, 4-d] pyrimidin-4 (3 H)-one derivatives
Westaway SM, et al.
Journal of Medicinal Chemistry, 59(4), 1370-1387 (2016)
Discovery of a potent, selective, and orally active phosphodiesterase 10A inhibitor for the potential treatment of schizophrenia
Bartolome?-Nebreda JM, et al.
Journal of Medicinal Chemistry, 57(10), 4196-4212 (2014)

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