3,5-Bis(methoxycarbonyl)phenylboronic Acid Pinacol Ester - CAS 944392-68-1
Catalog: |
BB041315 |
Product Name: |
3,5-Bis(methoxycarbonyl)phenylboronic Acid Pinacol Ester |
CAS: |
944392-68-1 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylic acid dimethyl ester; dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate |
IUPAC Name: | dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate |
Description: | 3,5-Bis(methoxycarbonyl)phenylboronic Acid Pinacol Ester (CAS# 944392-68-1) is a useful research chemical. |
Molecular Weight: | 320.15 |
Molecular Formula: | C16H21O6B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
InChI: | InChI=1S/C16H21BO6/c1-15(2)16(3,4)23-17(22-15)12-8-10(13(18)20-5)7-11(9-12)14(19)21-6/h7-9H,1-6H3 |
InChI Key: | IGSNWXAGFXHYOG-UHFFFAOYSA-N |
MDL: | MFCD11858596 |
LogP: | 1.55900 |
Publication Number | Title | Priority Date |
JP-2020144123-A | Polarization source of dynamic nuclear polarization, composition, composition for dynamic nuclear polarization, highly polarized method, highly polarized substance and NMR measurement method | 20190228 |
WO-2020175696-A1 | Polarization source for dynamic nuclear polarization, composition, composition for dynamic nuclear polarization, method for hyperpolarization, hyperpolarized substance and nmr measurement method | 20190228 |
CN-108948369-B | Porous coordination polymer, preparation method and application thereof | 20180725 |
CN-105601472-A | Preparation method of novel 5-[4-(1-carboxyl naphthyl)]-isophthalic acid | 20160128 |
US-10150095-B2 | Porous metal-organic framework with pyrimidine groups for methane storage exhibiting high working capacity | 20140321 |
PMID | Publication Date | Title | Journal |
22346917 | 20120201 | 1,3-Dimethyl 5-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 435 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.1431186 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.1431186 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 71.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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