2-Benzothienylboronic Acid - CAS 98437-23-1
Catalog: |
BB042162 |
Product Name: |
2-Benzothienylboronic Acid |
CAS: |
98437-23-1 |
Synonyms: |
1-benzothiophen-2-ylboronic acid; 1-benzothiophen-2-ylboronic acid |
IUPAC Name: | 1-benzothiophen-2-ylboronic acid |
Description: | Reactant involved in: PDE4 inhibitors; Chemoselective modification of oncolytic adenovirus; Synthesis of phosphorescent sensor for quantification of copper(II) ion; UV promoted phenanthridine syntheses; Preparation of CYP11B1 inhibitors for treatment of cortisol dependent diseases; Suzuki-Miyaura cross-coupling reactions. |
Molecular Weight: | 178.02 |
Molecular Formula: | C8H7O2SB |
Canonical SMILES: | B(C1=CC2=CC=CC=C2S1)(O)O |
InChI: | InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H |
InChI Key: | YNCYPMUJDDXIRH-UHFFFAOYSA-N |
Boiling Point: | 390.2 ℃ at 760 mmHg |
Melting Point: | 256-260 ℃ (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.35 g/cm3 |
Storage: | Inert atmosphere, Store in freezer, under -20 ℃ |
MDL: | MFCD01075674 |
LogP: | 0.58110 |
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-113336799-A | Dicyano-containing iridium complex and preparation method and application thereof | 20210531 |
KR-20210032339-A | An organoelectro luminescent compounds and organoelectro luminescent device using the same | 20210305 |
CN-112961671-A | Fluorescent/phosphorescent light-emitting life polymer probe capable of simultaneously detecting multiple targets and application thereof | 20210205 |
CN-112266387-A | Benzophenanthrene derivative and application thereof | 20201029 |
CN-111559990-A | Micromolecular oxathiazine derivative and application thereof | 20200529 |
PMID | Publication Date | Title | Journal |
21858024 | 20110101 | Permeation through the cell membrane of a boron-based β-lactamase inhibitor | PloS one |
19913034 | 20100212 | Structural bases for stability-function tradeoffs in antibiotic resistance | Journal of molecular biology |
19731939 | 20091008 | Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors | Journal of medicinal chemistry |
18983140 | 20081127 | Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase | Journal of medicinal chemistry |
17956081 | 20071115 | Optimizing cell permeation of an antibiotic resistance inhibitor for improved efficacy | Journal of medicinal chemistry |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.0259808 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.0259808 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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