2-Acetoxyphenylboronic Acid Pinacol Ester - CAS 480424-68-8
Catalog: |
BB026460 |
Product Name: |
2-Acetoxyphenylboronic Acid Pinacol Ester |
CAS: |
480424-68-8 |
Synonyms: |
acetic acid [2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] ester; [2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate |
IUPAC Name: | [2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate |
Description: | 2-Acetoxyphenylboronic Acid Pinacol Ester (CAS# 480424-68-8) is a useful research chemical. |
Molecular Weight: | 262.11 |
Molecular Formula: | C14H19O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OC(=O)C |
InChI: | InChI=1S/C14H19BO4/c1-10(16)17-12-9-7-6-8-11(12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3 |
InChI Key: | KFBOKXXUJHAZIH-UHFFFAOYSA-N |
Boiling Point: | 358.9 °C at 760 mmHg |
Melting Point: | 47-51 °C (lit.) |
Flash Point: | 230.0 °F - closed cup |
Density: | 1.08 g/cm3 |
MDL: | MFCD03453062 |
LogP: | 1.91110 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2012149693-A1 | Therapeutic compounds | 20090505 |
US-2015315127-A1 | Therapeutic compounds | 20090505 |
US-9024071-B2 | Therapeutic compounds | 20090505 |
EP-2376491-B1 | Pyrrolotriazines as alk and jak2 inhibitors | 20081219 |
US-2012028919-A1 | Pyrrolotriazines as alk and jak2 inhibitors | 20081219 |
Complexity: | 337 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.1376392 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.1376392 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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