4-Methoxycarbonylphenylboronic Acid Pinacol Ester
Product Information
Molecular Formula
C14H19O4B
Molecular Weight
262.11
Description
4-Methoxycarbonylphenylboronic acid pinacol ester can be used as a reagent: In Suzuki-Miyaura cross-coupling reaction with aryl halides to form C-C bonds ; For the synthesis of biphenyl derivatives by selective ortho C-H arylation of ketones using Rh catalyst.
Synonyms
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester; methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
IUPAC Name
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-8-6-10(7-9-11)12(16)17-5/h6-9H,1-5H3
InChI Key
REIZEQZILPXYKS-UHFFFAOYSA-N
Boiling Point
397.7 °C at 760 mmHg
Melting Point
77-81 °C (lit.)
Flash Point
Not applicable
Purity
97 %
Density
1.12 g/cm3
Appearance
Off-white powder
LogP
1.77240
Safety Information
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
262.1376392 g/mol
Monoisotopic Mass
262.1376392 g/mol
Topological Polar Surface Area
44.8Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
329
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-112480705-A | Double phenothiazinyl zinc porphyrin dye and preparation method thereof | 2020-12-17 |
| CN-112608617-A | Triphenothiazinyl zinc porphyrin dye and preparation method thereof | 2020-12-17 |
| CN-112625461-A | Phenoxazinyl zinc porphyrin dye and preparation method thereof | 2020-12-17 |
| US-2022064165-A1 | Tricyclic urea compounds as jak2 v617f inhibitors | 2020-08-27 |
| WO-2022046989-A1 | Tricyclic urea compounds as jak2 v617f inhibitors | 2020-08-27 |
| CN-114057758-A | Complement factor B inhibitor and pharmaceutical composition, preparation method and application thereof | 2020-08-07 |
| WO-2022028527-A1 | Complement factor b inhibitor, and pharmaceutical composition thereof, preparation method therefor and use thereof | 2020-08-07 |
| WO-2021221445-A1 | Compound as ubr box domain ligand | 2020-04-27 |
| WO-2021120890-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 2019-12-20 |
| WO-2021124222-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 2019-12-20 |
