3,5-Dimethoxyphenylboronic Acid - CAS 192182-54-0
Catalog: |
BB014855 |
Product Name: |
3,5-Dimethoxyphenylboronic Acid |
CAS: |
192182-54-0 |
Synonyms: |
(3,5-dimethoxyphenyl)boronic acid; (3,5-dimethoxyphenyl)boronic acid |
IUPAC Name: | (3,5-dimethoxyphenyl)boronic acid |
Description: | Reactant for: Palladium-catalyzed coupling reactions; Preparation of benzopyranone derivatives as positive GABAA receptor modulators; Preparation of aryl alkenes via three-component coupling catalyzed by palladium; Suzuki-Miyaura coupling; Rhodium catalyzed cyanation with N-cyano-N-phenyl-p-methylbenzenesulfonamide; Preparation of bisphosphonate inhibitors of human farnesyl pyrophosphate synthase. |
Molecular Weight: | 181.98 |
Molecular Formula: | C8H11O4B |
Canonical SMILES: | B(C1=CC(=CC(=C1)OC)OC)(O)O |
InChI: | InChI=1S/C8H11BO4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5,10-11H,1-2H3 |
InChI Key: | XUIURRYWQBBCCK-UHFFFAOYSA-N |
Boiling Point: | 371.6 °C at 760 mmHg |
Melting Point: | 202-207 °C |
Flash Point: | 178.3 °F - closed cup |
Purity: | ≥ 95 % |
Density: | 1.19 g/cm3 |
MDL: | MFCD03095127 |
LogP: | -0.61640 |
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-112574216-A | Compound, preparation method thereof and application thereof in preparing anti-cancer drugs | 20201216 |
CN-112201752-A | Preparation method and application of flexible electric storage device | 20200811 |
CN-111689994-A | Organic conjugated molecular material with bifluorene Aza-BODIPY as basic skeleton and preparation method and application thereof | 20200605 |
CN-111320575-A | Pyridine-2-aryl-3-sulfonamide compound and synthesis method and application thereof | 20200408 |
CN-111440174-A | Pyridine amide compound and preparation method and application thereof | 20200402 |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0750390 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0750390 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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