2-Ethoxyphenylboronic Acid - CAS 213211-69-9
Catalog: |
BB016767 |
Product Name: |
2-Ethoxyphenylboronic Acid |
CAS: |
213211-69-9 |
Synonyms: |
(2-ethoxyphenyl)boronic acid; (2-ethoxyphenyl)boronic acid |
IUPAC Name: | (2-ethoxyphenyl)boronic acid |
Description: | Reactant involved in Suzuki-Miyaura cross-coupling reactions for synthesis of pyridines and pyrimidines, reactions of bromo-N-methylpyrrole, or synthesis of diarylbenzophenonesReactant involved in: Ipso-amidation with nitriles; Studies of the effect of biaryl phosphine ligand structure on C-N and C-C bond formation; Oxidative coupling via C-H arylation. |
Molecular Weight: | 165.98 |
Molecular Formula: | C8H11O3B |
Canonical SMILES: | B(C1=CC=CC=C1OCC)(O)O |
InChI: | InChI=1S/C8H11BO3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6,10-11H,2H2,1H3 |
InChI Key: | DGFCTCGCMKEILT-UHFFFAOYSA-N |
Boiling Point: | 328.8 °C at 760 mmHg |
Melting Point: | 97-102 °C (lit.) |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Density: | 1.13 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00674027 |
LogP: | -0.23490 |
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-111943971-A | Preparation method of boric acid derivative | 20200917 |
CN-112047970-A | Method for preparing boric acid derivative | 20200917 |
WO-2021161084-A1 | N-(4-fluorophenyl)-5-phenyl-[1,2,4] triazolo [1,5-a] pyridine-2-carboxamide derivatives and their synthesis thereof | 20200216 |
CN-111171721-A | Ceramizable ablation-resistant coating and preparation method thereof | 20200122 |
CN-111171721-B | Ceramizable ablation-resistant coating and preparation method thereof | 20200122 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0801244 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0801244 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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