1-(1-Methyl-1H-indol-3-yl)-2-(1-naphthalenyl)ethanone - CAS 1638677-49-2
Catalog: |
BB059943 |
Product Name: |
1-(1-Methyl-1H-indol-3-yl)-2-(1-naphthalenyl)ethanone |
CAS: |
1638677-49-2 |
Synonyms: |
1-(1-Methyl-1H-indol-3-yl)-2-(naphthalen-1-yl)ethan-1-one |
IUPAC Name: | 1-(1-methylindol-3-yl)-2-naphthalen-1-ylethanone |
Description: | 1-(1-Methyl-1H-indol-3-yl)-2-(1-naphthalenyl)ethanone is a useful reagent in the preparation of α-aryl ketones by nickel-catalyzed α-arylation of ketones with phenol derivatives. |
Molecular Weight: | 299.37 |
Molecular Formula: | C21H17NO |
Canonical SMILES: | CN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC4=CC=CC=C43 |
InChI: | InChI=1S/C21H17NO/c1-22-14-19(18-11-4-5-12-20(18)22)21(23)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12,14H,13H2,1H3 |
InChI Key: | DJRHIBBPWJWKGK-UHFFFAOYSA-N |
References: | Takise, R., et al. Angew. Chem. Int. Ed., 53, 6791 (2014). |
Complexity: | 434 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.131014166 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 22Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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