5-Indolylboronic Acid - CAS 144104-59-6
Catalog: |
BB009728 |
Product Name: |
5-Indolylboronic Acid |
CAS: |
144104-59-6 |
Synonyms: |
1H-indol-5-ylboronic acid; 1H-indol-5-ylboronic acid |
IUPAC Name: | 1H-indol-5-ylboronic acid |
Description: | Reactant involved in the synthesis of biologically active molecules including: Indole inhibitors of MMP-13 for arthritic disease treatment; Substituted pyrimidines acting as tubulin polymerization inhibitorsReactant involved in Suzuki coupling reactions for synthesis of ; Aryl- hetarylfurocoumarins; Aryl-substituted oxabenzindoles and methanobenzindoles. Reactant involved in: Oxidative cross-coupling with mercaptoacetylenes; Trifluoromethylation. Substrate used in a rhodium-catalyzed 1,4-addition to unprotected maleimides. |
Molecular Weight: | 160.97 |
Molecular Formula: | C8H8NO2B |
Canonical SMILES: | B(C1=CC2=C(C=C1)NC=C2)(O)O |
InChI: | InChI=1S/C8H8BNO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10-12H |
InChI Key: | VHADYSUJZAPXOW-UHFFFAOYSA-N |
Boiling Point: | 433.2 °C at 760 mmHg |
Melting Point: | 170-175 °C |
Purity: | ≥ 95 % |
Density: | 1.33 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD01319013 |
LogP: | -0.15230 |
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-113264937-A | 4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof | 20210608 |
CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-111559990-B | Micromolecular oxathiazine derivative and application thereof | 20200529 |
CN-113493407-A | Pyridine compound and preparation method and pharmaceutical application thereof | 20200403 |
WO-2021130732-A1 | Antibacterial quinolines | 20191227 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.0648087 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.0648087 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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