2-Carboxyphenylboronic Acid Pinacol Ester - CAS 1187591-17-8
Catalog: |
BB004257 |
Product Name: |
2-Carboxyphenylboronic Acid Pinacol Ester |
CAS: |
1187591-17-8 |
Synonyms: |
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid; 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
IUPAC Name: | 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
Description: | 2-Carboxyphenylboronic Acid Pinacol Ester (CAS# 1187591-17-8) is a reagent used for the synthesis of Biaryl amides as M1 muscarinic acetylcholine receptor agonists. |
Molecular Weight: | 248.08 |
Molecular Formula: | C13H17O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(=O)O |
InChI: | InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-8-6-5-7-9(10)11(15)16/h5-8H,1-4H3,(H,15,16) |
InChI Key: | WEMYAYYFODFKCV-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 1.68400 |
Publication Number | Title | Priority Date |
CN-109369777-A | A kind of biology affinity probe molecule and the preparation method and application thereof | 20181018 |
US-2021284613-A1 | Radiolabelled compound | 20180327 |
CN-106693039-A | Preparation method of medical hydrogel with good biological adhesion | 20170124 |
CN-106693039-B | A kind of preparation method of the medical aquogel with good biological adhesiveness | 20170124 |
KR-20190027877-A | Inhibitors of Tryptophan 2,3-dioxygenase (Tryptophan 2,3-dioxygenase) | 20160713 |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.1219892 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.1219892 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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