4-(2-Oxo-1-pyrrolidinyl)phenylboronic Acid Pinacol Ester - CAS 1003309-09-8
Catalog: |
BB000177 |
Product Name: |
4-(2-Oxo-1-pyrrolidinyl)phenylboronic Acid Pinacol Ester |
CAS: |
1003309-09-8 |
Synonyms: |
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-pyrrolidinone; 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one |
IUPAC Name: | 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one |
Description: | 4-(2-Oxo-1-pyrrolidinyl)phenylboronic Acid Pinacol Ester (CAS# 1003309-09-8 ) is a useful research chemical. |
Molecular Weight: | 287.16 |
Molecular Formula: | C16H22NO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCCC3=O |
InChI: | InChI=1S/C16H22BNO3/c1-15(2)16(3,4)21-17(20-15)12-7-9-13(10-8-12)18-11-5-6-14(18)19/h7-10H,5-6,11H2,1-4H3 |
InChI Key: | YYSWCEFASKJARU-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 ℃ |
LogP: | 2.17760 |
Publication Number | Title | Priority Date |
US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
CN-113330001-A | 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same | 20181214 |
KR-20210092312-A | 3,3-difluoroallylamine or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
WO-2019238067-A1 | Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof | 20180613 |
TW-202016109-A | Pyrrolo[2,3-B]pyridine or pyrrolo[2,3-B]pyrazine as an HPK1 inhibitor and uses thereof | 20180613 |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.1692737 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.1692737 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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