2-[(1R,3S,4S)-2-Boc-2-azabicyclo[2.2.1]heptan-3-yl]-1H-benzimidazole-6-boronic Acid Pinacol Ester - CAS 1256387-87-7
Catalog: |
BB006170 |
Product Name: |
2-[(1R,3S,4S)-2-Boc-2-azabicyclo[2.2.1]heptan-3-yl]-1H-benzimidazole-6-boronic Acid Pinacol Ester |
CAS: |
1256387-87-7 |
Synonyms: |
(1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester; tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate |
IUPAC Name: | tert-butyl (1R,3S,4S)-3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate |
Description: | 2-[(1R,3S,4S)-2-Boc-2-azabicyclo[2.2.1]heptan-3-yl]-1H-benzimidazole-6-boronic Acid Pinacol Ester (CAS# 1256387-87-7 ) is a useful research chemical. |
Molecular Weight: | 439.36 |
Molecular Formula: | C24H34N3O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=C(N3)C4C5CCC(C5)N4C(=O)OC(C)(C)C |
InChI: | InChI=1S/C24H34BN3O4/c1-22(2,3)30-21(29)28-16-10-8-14(12-16)19(28)20-26-17-11-9-15(13-18(17)27-20)25-31-23(4,5)24(6,7)32-25/h9,11,13-14,16,19H,8,10,12H2,1-7H3,(H,26,27)/t14-,16+,19-/m0/s1 |
InChI Key: | MYPUONINDNZBTH-GMBSWORKSA-N |
LogP: | 4.26050 |
Publication Number | Title | Priority Date |
US-10118912-B2 | Process for the preparation of Ledipasvir | 20151026 |
US-2017197944-A1 | Process for the preparation of ledipasvir | 20151026 |
WO-2017072596-A1 | An improved process for the preparation of ledipasvir | 20151026 |
EP-3091010-A1 | 9,9,10,10-tetrafluoro-9,10-dihydrophenanthrene hepatitis c virus inhibitor and application thereof | 20131231 |
JP-2017536329-A | 9,9,10,10-Tetrafluoro-9,10-dihydrophenanthrenes hepatitis C virus inhibitor and application thereof | 20131231 |
Complexity: | 738 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 439.2642367 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 439.2642367 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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