1-Boc-1,4,5,6-tetrahydropyridine-3-boronic Acid Pinacol Ester - CAS 1121057-77-9
Catalog: |
BB002872 |
Product Name: |
1-Boc-1,4,5,6-tetrahydropyridine-3-boronic Acid Pinacol Ester |
CAS: |
1121057-77-9 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester; tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate |
IUPAC Name: | tert-butyl 5-(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-3-boronic Acid Pinacol Ester (CAS# 1121057-77-9) is used as a reactant in the synthesis of phosphatidylinositol 3-kinase inhibitors. |
Molecular Weight: | 309.21 |
Molecular Formula: | C16H28NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(CCC2)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17/h11H,8-10H2,1-7H3 |
InChI Key: | VXOCSENAGKVASP-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD18383341 |
LogP: | 3.47050 |
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 |
WO-2021178920-A1 | Compounds for targeted degradation of brd9 | 20200305 |
WO-2021094763-A1 | Erap1 modulators | 20191114 |
WO-2020127200-A1 | Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment, amelioration or prevention of cancer | 20181217 |
EP-3898614-A1 | Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment, amelioration or prevention of cancer | 20181217 |
WO-2019238067-A1 | Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof | 20180613 |
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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