2-(Boc-amino)phenylboronic Acid Pinacol Ester - CAS 159624-15-4
Catalog: |
BB011553 |
Product Name: |
2-(Boc-amino)phenylboronic Acid Pinacol Ester |
CAS: |
159624-15-4 |
Synonyms: |
N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamic acid tert-butyl ester; tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
IUPAC Name: | tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
Description: | 2-(Boc-amino)phenylboronic Acid Pinacol Ester (CAS# 159624-15-4) is a useful research chemical. |
Molecular Weight: | 319.20 |
Molecular Formula: | C17H26NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19-13-11-9-8-10-12(13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3,(H,19,20) |
InChI Key: | LVHGGVGVAUJQBB-UHFFFAOYSA-N |
Boiling Point: | 383.4 °C at 760 mmHg |
Density: | 1.07 g/cm3 |
Appearance: | Brown solid |
MDL: | MFCD03411943 |
LogP: | 3.40580 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019315717-A1 | Benzimidazole and indole compounds and uses thereof | 20180413 |
US-10611764-B2 | Aryl hydrocarbon receptor ligands from kynurenine | 20171109 |
US-2019135812-A1 | Novel aryl hydrocarbon receptor ligands derived from kynurenine | 20171109 |
AU-2016238436-A1 | Formylated N-heterocyclic derivatives as FGFR4 inhibitors | 20150325 |
EP-3274344-B1 | Formylated n-heterocyclic derivatives as fgfr4 inhibitors | 20150325 |
Complexity: | 428 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 319.1954885 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 319.1954885 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 56.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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