4-(Ethoxycarbonyl)thiophene-2-boronic Acid Pinacol Ester - CAS 960116-27-2
Catalog: |
BB041932 |
Product Name: |
4-(Ethoxycarbonyl)thiophene-2-boronic Acid Pinacol Ester |
CAS: |
960116-27-2 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-thiophenecarboxylic acid ethyl ester; ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate |
IUPAC Name: | ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-3-carboxylate |
Description: | 4-(Ethoxycarbonyl)thiophene-2-boronic Acid Pinacol Ester (CAS# 960116-27-2) is a useful research chemical. |
Molecular Weight: | 282.16 |
Molecular Formula: | C13H19O4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CS2)C(=O)OCC |
InChI: | InChI=1S/C13H19BO4S/c1-6-16-11(15)9-7-10(19-8-9)14-17-12(2,3)13(4,5)18-14/h7-8H,6H2,1-5H3 |
InChI Key: | UKOWLIGHMFVYFW-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
MDL: | MFCD12407259 |
LogP: | 2.22400 |
Publication Number | Title | Priority Date |
US-2020172521-A1 | Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof | 20170519 |
EP-3322697-A1 | Substituted tricyclics and method of use | 20150716 |
EP-3322697-B1 | Substituted tricyclics and method of use | 20150716 |
US-2017015675-A1 | Substituted tricyclics and method of use | 20150716 |
US-2018037587-A1 | Substituted Tricyclics and Method of Use | 20150716 |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.1097104 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.1097104 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 73 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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