3-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester - CAS 540752-87-2
Catalog: |
BB028485 |
Product Name: |
3-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester |
CAS: |
540752-87-2 |
Synonyms: |
4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate |
Description: | 3-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester (CAS# 540752-87-2) is a useful research chemical compound. |
Molecular Weight: | 388.31 |
Molecular Formula: | C21H33N2O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)N3CCN(CC3)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C21H33BN2O4/c1-19(2,3)26-18(25)24-13-11-23(12-14-24)17-10-8-9-16(15-17)22-27-20(4,5)21(6,7)28-22/h8-10,15H,11-14H2,1-7H3 |
InChI Key: | RJUYJGNYCCEDAH-UHFFFAOYSA-N |
LogP: | 3.04580 |
Publication Number | Title | Priority Date |
US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 20181214 |
TW-202039447-A | 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 |
US-2020095240-A1 | Aminopyrimidine compound | 20180925 |
Complexity: | 551 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 388.2533377 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 388.2533377 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 51.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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