3-Acetamidophenylboronic Acid - CAS 78887-39-5
Catalog: |
BB036255 |
Product Name: |
3-Acetamidophenylboronic Acid |
CAS: |
78887-39-5 |
Synonyms: |
(3-acetamidophenyl)boronic acid; (3-acetamidophenyl)boronic acid |
IUPAC Name: | (3-acetamidophenyl)boronic acid |
Description: | Reactant involved in: Suzuki-Miyaura coupling reactions; Trifluoromethylation. Reactant involved in the synthesis of a variety of inhibitors including: NR2B subtype of NMDA receptor antagonists for antidepressant activity; Biphenylylmethylimidazole derivatives for use as 17,20-lyase inhibitors; (Indolyl)-3,5-substituted benzene analogs with antimitotic and antitumor activity; Substituted pyrrolidines and tetrahydrofurans as AMPA receptor positive modulators. |
Molecular Weight: | 178.98 |
Molecular Formula: | C8H10NO3B |
Canonical SMILES: | B(C1=CC(=CC=C1)NC(=O)C)(O)O |
InChI: | InChI=1S/C8H10BNO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11) |
InChI Key: | IBTSWKLSEOGJGJ-UHFFFAOYSA-N |
Melting Point: | 135 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.23 g/cm3 |
MDL: | MFCD00236013 |
LogP: | -0.60220 |
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 |
CN-111675626-A | Ionone alkaloid derivative and medical application thereof | 20200319 |
WO-2021178780-A1 | Indazoles and azaindazoles as lrrk2 inhibitors | 20200306 |
CN-113321669-A | Sulfimide metal salt, preparation method and application thereof | 20200228 |
US-2021214366-A1 | Bicyclic heterocycles as fgfr inhibitors | 20200115 |
WO-2021146424-A1 | Bicyclic heterocycles as fgfr inhibitors | 20200115 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.0753733 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.0753733 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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