8-Boc-8-azabicyclo[3.2.1]oct-2-ene-3-boronic Acid Pinacol Ester - CAS 900503-08-4
Catalog: |
BB039746 |
Product Name: |
8-Boc-8-azabicyclo[3.2.1]oct-2-ene-3-boronic Acid Pinacol Ester |
CAS: |
900503-08-4 |
Synonyms: |
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester; tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate |
IUPAC Name: | tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate |
Description: | 8-Boc-8-azabicyclo[3.2.1]oct-2-ene-3-boronic Acid Pinacol Ester (CAS# 900503-08-4) is a useful research chemical. |
Molecular Weight: | 335.25 |
Molecular Formula: | C18H30NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3CCC(C2)N3C(=O)OC(C)(C)C |
InChI: | InChI=1S/C18H30BNO4/c1-16(2,3)22-15(21)20-13-8-9-14(20)11-12(10-13)19-23-17(4,5)18(6,7)24-19/h10,13-14H,8-9,11H2,1-7H3 |
InChI Key: | JNHGCLCLMOCPCQ-UHFFFAOYSA-N |
Boiling Point: | 378.2 °C at 760 mmHg |
Density: | 1.08 g/cm3 |
MDL: | MFCD22380007 |
LogP: | 3.65390 |
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-2021207554-A1 | Compounds and methods for modulating splicing | 20200408 |
WO-2021071802-A1 | Aryl heterocyclic compounds as kv1.3 potassium shaker channel blockers | 20191007 |
WO-2020264499-A1 | Irak degraders and uses thereof | 20190628 |
CN-109575022-B | Compound and application thereof | 20171225 |
CN-111491930-A | Substituted indole compounds useful as T L R inhibitors | 20171219 |
Complexity: | 548 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 335.2267886 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 335.2267886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
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