1-Boc-1,4,5,6-tetrahydropyridine-2-boronic Acid Pinacol Ester - CAS 865245-32-5
Catalog: |
BB037977 |
Product Name: |
1-Boc-1,4,5,6-tetrahydropyridine-2-boronic Acid Pinacol Ester |
CAS: |
865245-32-5 |
Synonyms: |
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester; tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate |
IUPAC Name: | tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate |
Description: | 1-Boc-1,4,5,6-tetrahydropyridine-2-boronic Acid Pinacol Ester (CAS# 865245-32-5) is a useful research chemical. |
Molecular Weight: | 309.21 |
Molecular Formula: | C16H28NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCCCN2C(=O)OC(C)(C)C |
InChI: | InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-11-9-8-10-12(18)17-21-15(4,5)16(6,7)22-17/h10H,8-9,11H2,1-7H3 |
InChI Key: | LEQQJEMLERIVAW-UHFFFAOYSA-N |
Boiling Point: | 355.192 °C at 760 mmHg |
Density: | 1.05 g/cm3 |
LogP: | 3.47050 |
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-2021094763-A1 | Erap1 modulators | 20191114 |
US-2021047294-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
WO-2021030537-A1 | Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors | 20190814 |
JP-2019530670-A | Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer | 20160909 |
US-10266530-B2 | Pyrazolopyridine compounds and uses thereof | 20160909 |
Complexity: | 463 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 309.2111385 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 309.2111385 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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