4-Hydroxyphenylboronic Acid - CAS 71597-85-8
Catalog: |
BB034430 |
Product Name: |
4-Hydroxyphenylboronic Acid |
CAS: |
71597-85-8 |
Synonyms: |
(4-hydroxyphenyl)boronic acid; (4-hydroxyphenyl)boronic acid |
IUPAC Name: | (4-hydroxyphenyl)boronic acid |
Description: | Reagent used for: Suzuki-Miyaura coupling and Stille coupling and potential for introducing different alkyl groups ; Palladium-catalyzed aminocarbonylation and cross-coupling reactions ; Bio-supported palladium nanoparticles as phosphine-free catalyst for Suzuki reaction in water ; Cu2O-catalyzed aerobic oxidative cross-coupling of tetrazoles Reagent used in Preparation of; PDK1 inhibitory activity (cancer cell growth, survival, and tumorigenesis inhibitor) ; Rod-like dendronized polymers contg. G4 and G5 ester dendrons via macromonomer approach by living ROMP ; Estrone-derived cyclopamine analogs as Sonic Hedgehog signaling inhibitors for anti-cancer chemotherapeutics ; Enzymatic inhibitors for the treatment of gram-negative bacterial infections. |
Molecular Weight: | 137.93 |
Molecular Formula: | C6H7O3B |
Canonical SMILES: | B(C1=CC=C(C=C1)O)(O)O |
InChI: | InChI=1S/C6H7BO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8-10H |
InChI Key: | COIQUVGFTILYGA-UHFFFAOYSA-N |
Boiling Point: | 351.4 °C at 760 mmHg |
Melting Point: | >230 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95.0 % |
Density: | 1.32 g/cm3 |
MDL: | MFCD01074628 |
LogP: | -0.92800 |
GHS Hazard Statement: | H315 (96%): 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-113429238-A | Organic fertilizer and preparation method thereof | 20210723 |
CN-113493196-A | Boron-nitrogen co-doped porous carbon material and preparation method and application thereof | 20210720 |
CN-113354675-A | Preparation method of 4-hydroxymethyl phenylboronic acid | 20210701 |
CN-113354810-A | Clustering peptide with side chain containing functionalized biphenyl group and preparation method thereof | 20210607 |
CN-113150331-A | Glass fiber cloth reinforced insulation molded plate and preparation method thereof | 20210528 |
PMID | Publication Date | Title | Journal |
20667740 | 20100915 | Novel tricyclic pyrazole BRAF inhibitors with imidazole or furan central scaffolds | Bioorganic & medicinal chemistry |
20405003 | 20100413 | Small molecules showing significant protection of mice against botulinum neurotoxin serotype A | PloS one |
Complexity: | 99.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.0488242 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.0488242 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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