3-(Methoxycarbonyl)phenylboronic acid - CAS 99769-19-4
Catalog: |
BB042336 |
Product Name: |
3-(Methoxycarbonyl)phenylboronic acid |
CAS: |
99769-19-4 |
Synonyms: |
3-Methoxycarbonylphenylboronic acid; 3-Boronobenzoic Acid 1-Methyl Ester; m-Boronobenzoic Acid Methyl Ester; 3-(Carbomethoxy)phenylboronic Acid; 3-Methoxycarbonylbenzeneboronic Acid; m-(Methoxycarbonyl)boronic Acid |
IUPAC Name: | (3-methoxycarbonylphenyl)boronic acid |
Description: | Reactant involved in: Suzuki-Miyaura cross-coupling; Iterative cross-coupling of boronate building blocks; Cross-coupling with aryl / alkenyl sulfonates; Synthesis of symmetrical biaryls via CuCl catalyzed homocoupling; Trifluoromethylation; Cyanation. |
Molecular Weight: | 179.97 |
Molecular Formula: | C8H9BO4 |
Canonical SMILES: | B(C1=CC(=CC=C1)C(=O)OC)(O)O |
InChI: | InChI=1S/C8H9BO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5,11-12H,1H3 |
InChI Key: | ALTLCJHSJMGSLT-UHFFFAOYSA-N |
Boiling Point: | 359.9±44.0°C (Predicted) |
Melting Point: | 205-208°C |
Flash Point: | Not applicable |
Purity: | ≥95% |
Density: | 1.25±0.1 g/cm3 (Predicted) |
Appearance: | White to Off-white Powder |
Storage: | Store at RT |
MDL: | MFCD02093046 |
LogP: | -0.84700 |
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-113372318-A | Preparation method and device of 7-methoxy-4' -methyl formate flavanone | 20210702 |
CN-113318707-A | Organic supermolecule gel system of binuclear rhodium-porphyrin derivative and preparation method thereof | 20210611 |
CN-112778305-A | Pyridopyrimidone compounds and preparation method and application thereof | 20210208 |
CN-112687878-A | Electrochemical device and electronic device | 20201225 |
WO-2021163727-A1 | Pikfyve kinase inhibitors | 20200211 |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.0593889 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.0593889 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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