6-[Boc(methyl)amino]pyridine-3-boronic Acid Pinacol Ester - CAS 1032758-87-4
Catalog: |
BB001071 |
Product Name: |
6-[Boc(methyl)amino]pyridine-3-boronic Acid Pinacol Ester |
CAS: |
1032758-87-4 |
Synonyms: |
N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamic acid tert-butyl ester; tert-butyl N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate |
IUPAC Name: | tert-butyl N-methyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate |
Description: | 6-[Boc(methyl)amino]pyridine-3-boronic Acid Pinacol Ester (CAS# 1032758-87-4) is a useful research chemical. |
Molecular Weight: | 334.22 |
Molecular Formula: | C17H27N2O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N(C)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C17H27BN2O4/c1-15(2,3)22-14(21)20(8)13-10-9-12(11-19-13)18-23-16(4,5)17(6,7)24-18/h9-11H,1-8H3 |
InChI Key: | QGBJKHALDLKAGX-UHFFFAOYSA-N |
Boiling Point: | 435.7 °C at 760 mmHg |
Density: | 1.09 g/cm3 |
Appearance: | White powder |
MDL: | MFCD09037484 |
LogP: | 2.75210 |
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-2019214681-A1 | Heteroaryl compounds and uses thereof | 20180509 |
AU-2019265346-A1 | Heteroaryl compounds and uses thereof | 20180509 |
BR-112020022741-A2 | heteroaryl compounds and uses thereof | 20180509 |
EP-3790883-A1 | Heteroaryl compounds and uses thereof | 20180509 |
KR-20210008049-A | Heteroaryl compounds and uses thereof | 20180509 |
Complexity: | 460 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 334.2063875 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 334.2063875 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 60.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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