2,6-Dimethoxy-3-pyridineboronic Acid - CAS 221006-70-8
Catalog: |
BB017373 |
Product Name: |
2,6-Dimethoxy-3-pyridineboronic Acid |
CAS: |
221006-70-8 |
Synonyms: |
(2,6-dimethoxy-3-pyridinyl)boronic acid; (2,6-dimethoxypyridin-3-yl)boronic acid |
IUPAC Name: | (2,6-dimethoxypyridin-3-yl)boronic acid |
Description: | Reactant for: Preparation of benzopyranone derivatives as positive GABAA receptor modulators; Preparation of pyrazine derivatives as orally active corticotropin releasing factor-1 receptor antagonists; Microwave-enhanced synthesis of trisubstituted pyridazines; Preparation of biaryl derivatives via palladium-catalyzed Suzuki-Miyaura cross-coupling reaction with aryl- or heteroaryl halides; Preparation of 3-arylpyridines via palladium-P Phos catalyzed Suzuki cross coupling. May contain varying amounts of anhydride. |
Molecular Weight: | 182.97 |
Molecular Formula: | C7H10NO4B |
Canonical SMILES: | B(C1=C(N=C(C=C1)OC)OC)(O)O |
InChI: | InChI=1S/C7H10BNO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4,10-11H,1-2H3 |
InChI Key: | ADGHSWFUZUADDH-UHFFFAOYSA-N |
Boiling Point: | 341.2 °C at 760 mmHg |
Melting Point: | 100-117 °C |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.26 g/cm3 |
Storage: | 2-8 °C |
MDL: | MFCD03788239 |
LogP: | -1.22140 |
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 |
WO-2020186220-A1 | Compounds as inhibitors of macrophage migration inhibitory factor | 20190313 |
KR-20190137711-A | Novel compounds and pharmaceutical composition comprising the same | 20180601 |
WO-2019231290-A1 | Novel compound and pharmaceutical composition comprising same | 20180601 |
AU-2019279441-A1 | Novel compound and pharmaceutical composition comprising same | 20180601 |
CN-112004807-A | Novel compounds and pharmaceutical compositions comprising said compounds | 20180601 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.0702880 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.0702880 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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