4-'Methyl-[1'1-biphenyl]-3-yl)methyl Acetate - CAS 126485-54-9
Catalog: |
BB059915 |
Product Name: |
4-'Methyl-[1'1-biphenyl]-3-yl)methyl Acetate |
CAS: |
126485-54-9 |
Synonyms: |
3-Acetoxymethyl-4'-methylbiphenyl |
IUPAC Name: | [3-(4-methylphenyl)phenyl]methyl acetate |
Description: | 4-'Methyl-[1'1-biphenyl]-3-yl)methyl Acetate is a reagent used in the preparation of functionalized biaryls using cross coupling reactions of aryl halides and aryl silanes. |
Molecular Weight: | 240.3 |
Molecular Formula: | C16H16O2 |
Canonical SMILES: | CC1=CC=C(C=C1)C2=CC=CC(=C2)COC(=O)C |
InChI: | InChI=1S/C16H16O2/c1-12-6-8-15(9-7-12)16-5-3-4-14(10-16)11-18-13(2)17/h3-10H,11H2,1-2H3 |
InChI Key: | WONHPHQBIZYLRF-UHFFFAOYSA-N |
References: | Hatanaka, Y., et al. Tetrahedron, 50, 8301 (1994); Hatanaka, Y., et al. Chem. Lett., 10, 1711 (1989). |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.115029749 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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