1-Boc-indole-3-boronic Acid Pinacol Ester - CAS 942070-45-3
Catalog: |
BB041223 |
Product Name: |
1-Boc-indole-3-boronic Acid Pinacol Ester |
CAS: |
942070-45-3 |
Synonyms: |
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-indolecarboxylic acid tert-butyl ester; tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate |
IUPAC Name: | tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate |
Description: | 1-Boc-indole-3-boronic Acid Pinacol Ester (CAS# 942070-45-3) is a useful research chemical. |
Molecular Weight: | 343.23 |
Molecular Formula: | C19H26NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=CC=CC=C23)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C19H26BNO4/c1-17(2,3)23-16(22)21-12-14(13-10-8-9-11-15(13)21)20-24-18(4,5)19(6,7)25-20/h8-12H,1-7H3 |
InChI Key: | WWMZOMHUEMTTQO-UHFFFAOYSA-N |
MDL: | MFCD12407262 |
LogP: | 3.72370 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021143729-A1 | Compound, composition and functional molecule with multi-target inhibiting effect and use thereof | 20200115 |
US-2020206216-A1 | Inhibitors of fibroblast activation protein | 20181221 |
WO-2020083878-A1 | 5-azaindazole derivatives as adenosine receptor antagonists | 20181025 |
CN-112867715-A | 5-azaindazole derivatives as adenosine receptor antagonists | 20181025 |
EP-3870582-A1 | 5-azaindazole derivatives as adenosine receptor antagonists | 20181025 |
Complexity: | 512 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.1954885 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.1954885 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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