1-[(1,3-Dioxolan-2-yl)methyl]pyrazole-4-boronic Acid Pinacol Ester - CAS 864754-17-6
Catalog: |
BB037948 |
Product Name: |
1-[(1,3-Dioxolan-2-yl)methyl]pyrazole-4-boronic Acid Pinacol Ester |
CAS: |
864754-17-6 |
Synonyms: |
1-(1,3-dioxolan-2-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-(1,3-dioxolan-2-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1-(1,3-dioxolan-2-ylmethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-[(1,3-Dioxolan-2-yl)methyl]pyrazole-4-boronic Acid Pinacol Ester (CAS# 864754-17-6) 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)CC3OCCO3 |
InChI: | InChI=1S/C13H21BN2O4/c1-12(2)13(3,4)20-14(19-12)10-7-15-16(8-10)9-11-17-5-6-18-11/h7-8,11H,5-6,9H2,1-4H3 |
InChI Key: | IWEGDQUCWQFKHS-UHFFFAOYSA-N |
Boiling Point: | 405.6 °C at 760 mmHg |
Density: | 1.21 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08272028 |
LogP: | 0.55520 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10081637-B2 | Pyrazole compounds as modulators of FSHR and uses thereof | 20130624 |
US-2016152626-A1 | Pyrazole compounds as modulators of fshr and uses thereof | 20130624 |
US-2018354965-A1 | Pyrazole compounds as modulators of fshr and uses thereof | 20130624 |
WO-2014209980-A1 | Pyrazole compounds as modulators of fshr and uses thereof | 20130624 |
AU-2012259333-A1 | Pyridine-and pyrazine derivatives | 20110523 |
Complexity: | 344 |
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: | 3 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Boronic Acids and Esters
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS