1-Boc-indole-4-boronic Acid Pinacol Ester - CAS 893441-86-6
Catalog: |
BB039433 |
Product Name: |
1-Boc-indole-4-boronic Acid Pinacol Ester |
CAS: |
893441-86-6 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-indolecarboxylic acid tert-butyl ester; tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate |
IUPAC Name: | tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate |
Description: | 1-Boc-indole-4-boronic Acid Pinacol Ester (CAS# 893441-86-6 ) is a useful research chemical. |
Molecular Weight: | 343.23 |
Molecular Formula: | C19H26NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C3C=CN(C3=CC=C2)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C19H26BNO4/c1-17(2,3)23-16(22)21-12-11-13-14(9-8-10-15(13)21)20-24-18(4,5)19(6,7)25-20/h8-12H,1-7H3 |
InChI Key: | FUXWYWGKVFEKQX-UHFFFAOYSA-N |
LogP: | 3.72370 |
Publication Number | Title | Priority Date |
CN-110437068-B | Preparation method of aromatic methylation | 20190730 |
US-2020024281-A1 | Further substituted triazolo quinoxaline derivatives | 20180720 |
US-10981918-B2 | Further substituted triazolo quinoxaline derivatives | 20180720 |
BR-112021000857-A2 | ADDITIONAL REPLACED DERIVATIVES OF QUINOXALIN TRIAZOLE | 20180720 |
US-2021139488-A1 | Substituted triazolo quinoxaline derivatives | 20180720 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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