1-(Ethoxycarbonylmethyl)pyrazole-4-boronic Acid Pinacol Ester - CAS 864754-16-5
Catalog: |
BB037947 |
Product Name: |
1-(Ethoxycarbonylmethyl)pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
864754-16-5 |
Synonyms: |
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrazolyl]acetic acid ethyl ester; ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate |
IUPAC Name: | ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate |
Description: | 1-(Ethoxycarbonylmethyl)pyrazole-4-boronic Acid Pinacol Ester (CAS# 864754-16-5) is a useful research chemical. |
Molecular Weight: | 280.13 |
Molecular Formula: | C13H21N2O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC(=O)OCC |
InChI: | InChI=1S/C13H21BN2O4/c1-6-18-11(17)9-16-8-10(7-15-16)14-19-12(2,3)13(4,5)20-14/h7-8H,6,9H2,1-5H3 |
InChI Key: | YUEZJHOSHBTWPV-UHFFFAOYSA-N |
Boiling Point: | 390.8 °C at 760 mmHg |
Flash Point: | 230.0 °F - closed cup |
Purity: | 97 % |
Density: | 1.12 g/cm3 |
Appearance: | Colorless to yellow liquid |
Storage: | Inert atmosphere. Keep cold. |
MDL: | MFCD08706026 |
LogP: | 0.74540 |
Refractive Index: | n20/D 1.4814 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021081207-A1 | Glp-1r modulating compounds | 20191025 |
US-2021171499-A1 | Glp-1r modulating compounds | 20191025 |
US-2020392118-A1 | Disubstituted pyrazole compounds | 20190617 |
WO-2020257171-A1 | Disubstituted pyrazole compounds as ketohexokinase inhibitors | 20190617 |
JP-2021525793-A | Disubstituted pyrazole compounds as ketohexokinase inhibitors | 20190617 |
Complexity: | 359 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.1594373 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.1594373 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 62.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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