N-Boc-5-aminocyclohexene-1-boronic Acid Pinacol Ester - CAS 1175298-09-5
Catalog: |
BB003953 |
Product Name: |
N-Boc-5-aminocyclohexene-1-boronic Acid Pinacol Ester |
CAS: |
1175298-09-5 |
Synonyms: |
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-cyclohex-3-enyl]carbamic acid tert-butyl ester; tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate |
IUPAC Name: | tert-butyl N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]carbamate |
Description: | N-Boc-5-aminocyclohexene-1-boronic Acid Pinacol Ester (CAS# 1175298-09-5) is a reactant in the preparation of furo[3,2-c]pyridine derivatives as protein kinase inhibitors. |
Molecular Weight: | 323.24 |
Molecular Formula: | C17H30NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCCC(C2)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C17H30BNO4/c1-15(2,3)21-14(20)19-13-10-8-9-12(11-13)18-22-16(4,5)17(6,7)23-18/h9,13H,8,10-11H2,1-7H3,(H,19,20) |
InChI Key: | MFPBSOYHSNYOKC-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
LogP: | 3.82580 |
Publication Number | Title | Priority Date |
WO-2021207549-A1 | Kinase inhibitors | 20200410 |
WO-2019056466-A1 | Bruton tyrosine kinase inhibitor | 20170920 |
EP-3330271-A1 | PYRROLO[2,3-d]PYRIMIDINE COMPOUND OR SALT THEREOF | 20150731 |
JP-6438585-B2 | A pyrrolo [2,3-d] pyrimidine compound or a salt thereof | 20150731 |
JP-WO2017022648-A1 | A pyrrolo [2,3-d] pyrimidine compound or a salt thereof | 20150731 |
Complexity: | 477 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 323.2267886 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.2267886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 56.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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