3-(tert-Butoxycarbonyl)phenylboronic Acid Pinacol Ester - CAS 903895-48-7
Catalog: |
BB039830 |
Product Name: |
3-(tert-Butoxycarbonyl)phenylboronic Acid Pinacol Ester |
CAS: |
903895-48-7 |
Synonyms: |
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid tert-butyl ester; tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
IUPAC Name: | tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
Description: | 3-(tert-Butoxycarbonyl)phenylboronic Acid Pinacol Ester (CAS# 903895-48-7) is a useful research chemical. |
Molecular Weight: | 304.19 |
Molecular Formula: | C17H25O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C17H25BO4/c1-15(2,3)20-14(19)12-9-8-10-13(11-12)18-21-16(4,5)17(6,7)22-18/h8-11H,1-7H3 |
InChI Key: | VOLNBIZKQGSQMP-UHFFFAOYSA-N |
Boiling Point: | 396.7 °C at 760 mmHg |
Density: | 1.04 g/cm3 |
MDL: | MFCD03453057 |
LogP: | 2.94110 |
Publication Number | Title | Priority Date |
WO-2021003157-A1 | Eif4e-inhibiting 4-oxo-3,4-dihydropyrido[3,4-d]pyrimidine compounds | 20190702 |
US-2020291002-A1 | Benzofuran derivatives for the treatment of hepatitis c | 20160321 |
JP-2017518287-A | Deubiquitinase inhibitor | 20140602 |
US-2017088520-A1 | Deubiquitinase inhibitors | 20140602 |
EP-2970174-B1 | Fused furans for the treatment of hepatitis c | 20130314 |
Complexity: | 409 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.1845894 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.1845894 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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