3-(Aminocarbonyl)phenylboronic Acid - CAS 351422-73-6
Catalog: |
BB022499 |
Product Name: |
3-(Aminocarbonyl)phenylboronic Acid |
CAS: |
351422-73-6 |
Synonyms: |
(3-carbamoylphenyl)boronic acid; (3-carbamoylphenyl)boronic acid |
IUPAC Name: | (3-carbamoylphenyl)boronic acid |
Description: | Reactant involved in the synthesis of a variety of inhibitors including: Orally active phosphodiesterase 10A inhibitors; Pyrimidine derivatives as TpI2 kinase inhibitors; Peptidomimetic inhibitors of STAT3 protein. Reactant involved in: Oxidative cross-coupling with mercaptoacetylenes; Trifluoromethylation via a Collidine trifluoromethylating agent; Suzuki cross-coupling reactions. |
Molecular Weight: | 164.95 |
Molecular Formula: | C7H8NO3B |
Canonical SMILES: | B(C1=CC(=CC=C1)C(=O)N)(O)O |
InChI: | InChI=1S/C7H8BNO3/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H2,9,10) |
InChI Key: | WDGWHKRJEBENCE-UHFFFAOYSA-N |
Boiling Point: | 408.1 °C at 760 mmHg |
Melting Point: | 221-226 °C |
Flash Point: | Not applicable |
Density: | 1.32 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD03411948 |
LogP: | -0.83440 |
GHS Hazard Statement: | H302 (93.88%): 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-2021113263-A1 | Crf receptor antagonists and methods of use | 20191204 |
JP-2021007389-A | 4-Amino Antipyrin-Containing Subcomposition for Saccharified Protein Measuring Reagent Containing Stabilizer, Saccharified Protein Measuring Reagent, Saccharified Protein Measuring Method, Stabilizing 4-Amino Antipyrin-Containing Subcomposition for Saccharified Protein Measuring Reagent , And a method for preserving 4-aminoantipyrine-containing partial compositions for glycated protein measurement reagents. | 20190701 |
CN-109289040-B | Preparation method of oral insulin preparation with medicinal mulberry leaf polysaccharide as carrier | 20181019 |
US-2020003773-A1 | Optical detection of biological components | 20180405 |
WO-2019173761-A1 | C-abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same | 20180309 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.0597233 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.0597233 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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