4-(Methoxycarbonyl)-1H-pyrrole-2-boronic Acid Pinacol Ester - CAS 1268619-58-4
Catalog: |
BB006687 |
Product Name: |
4-(Methoxycarbonyl)-1H-pyrrole-2-boronic Acid Pinacol Ester |
CAS: |
1268619-58-4 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-3-carboxylic acid methyl ester; methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-3-carboxylate |
IUPAC Name: | methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-3-carboxylate |
Description: | 4-(Methoxycarbonyl)-1H-pyrrole-2-boronic Acid Pinacol Ester (CAS# 1268619-58-4) is a useful research chemical. |
Molecular Weight: | 251.09 |
Molecular Formula: | C12H18NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN2)C(=O)OC |
InChI: | InChI=1S/C12H18BNO4/c1-11(2)12(3,4)18-13(17-11)9-6-8(7-14-9)10(15)16-5/h6-7,14H,1-5H3 |
InChI Key: | BSVMPMYZRFLSEK-UHFFFAOYSA-N |
LogP: | 1.10050 |
Publication Number | Title | Priority Date |
WO-2015069287-A1 | Compounds as tyrosine kinase modulators | 20131108 |
AU-2010289353-A1 | Compounds as tyrosine kinase modulators | 20090903 |
CA-2772718-A1 | Compounds as tyrosine kinase modulators | 20090903 |
EP-2473501-A1 | Compounds as tyrosine kinase modulators | 20090903 |
EP-2473501-B1 | Compounds as tyrosine kinase modulators | 20090903 |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.1328882 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.1328882 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 60.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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