N-Boc-pyrrole-2-boronic Acid Pinacol Ester - CAS 1072944-98-9
Catalog: |
BB002029 |
Product Name: |
N-Boc-pyrrole-2-boronic Acid Pinacol Ester |
CAS: |
1072944-98-9 |
Synonyms: |
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyrrolecarboxylic acid tert-butyl ester; tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-1-carboxylate |
IUPAC Name: | tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole-1-carboxylate |
Description: | N-Boc-pyrrole-2-boronic Acid Pinacol Ester (CAS# 1072944-98-9) is a useful research chemical. |
Molecular Weight: | 293.17 |
Molecular Formula: | C15H24NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CN2C(=O)OC(C)(C)C |
InChI: | InChI=1S/C15H24BNO4/c1-13(2,3)19-12(18)17-10-8-9-11(17)16-20-14(4,5)15(6,7)21-16/h8-10H,1-7H3 |
InChI Key: | DZQURIUJAGTAFW-UHFFFAOYSA-N |
Solubility: | Slightly soluble in water. |
Appearance: | Solid |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD11504960 |
LogP: | 2.57050 |
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 |
CN-112062758-A | Selenophenol quinoline derivative and preparation method and application thereof | 20200828 |
WO-2021008588-A1 | Class of pyrimidine quinoline derivatives and preparation method therefor and application thereof | 20190716 |
ES-2685839-T3 | RORC2 heterobicycloaryl inhibitors and methods of use thereof | 20130802 |
US-10138233-B2 | Imidazole compounds as modulators of FSHR and uses thereof | 20130624 |
US-2016152609-A1 | Imidazole compounds as modulators of fshr and uses thereof | 20130624 |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.1798384 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.1798384 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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