N-Boc-3-aminophenylboronic Acid - CAS 380430-68-2
Catalog: |
BB023515 |
Product Name: |
N-Boc-3-aminophenylboronic Acid |
CAS: |
380430-68-2 |
Synonyms: |
[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]boronic acid; [3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid |
IUPAC Name: | [3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid |
Description: | Reactant for: Rhodium-catalyzed cross-coupling; Pd-catalyzed Suzuki-Miyaura coupling. |
Molecular Weight: | 237.06 |
Molecular Formula: | C11H16NO4B |
Canonical SMILES: | B(C1=CC(=CC=C1)NC(=O)OC(C)(C)C)(O)O |
InChI: | InChI=1S/C11H16BNO4/c1-11(2,3)17-10(14)13-9-6-4-5-8(7-9)12(15)16/h4-7,15-16H,1-3H3,(H,13,14) |
InChI Key: | CWLNHPXWZRALFS-UHFFFAOYSA-N |
Melting Point: | 168 °C (dec.) (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.18 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03411945 |
LogP: | 0.78640 |
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-2021147953-A1 | Pyrimido five-membered ring derivative and application thereof | 20200121 |
WO-2021065980-A1 | Bet degrader | 20190930 |
WO-2020236654-A1 | Cyano cyclobutyl compounds for cbl-b inhibition and uses thereof | 20190517 |
US-2021053986-A1 | Cyano cyclobutyl compounds for cbl-b inhibition and uses thereof | 20190517 |
CN-111662232-A | Small molecule compound with 2H-indazole structure and synthesis and application thereof | 20190306 |
PMID | Publication Date | Title | Journal |
21533876 | 20120101 | Optimal phenotypic testing of AmpC beta-lactamases using boronic acid solutions | European journal of clinical microbiology & infectious diseases : official publication of the European Society of Clinical Microbiology |
20710065 | 20100811 | Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids | Antiviral chemistry & chemotherapy |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.1172382 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.1172382 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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