1-Methyl-2-(4-methylbenzyl)benzene - CAS 21895-17-0
Catalog: |
BB059189 |
Product Name: |
1-Methyl-2-(4-methylbenzyl)benzene |
CAS: |
21895-17-0 |
Synonyms: |
1-Methyl-2-[(4-methylphenyl)methyl]benzene; (p-Methylphenyl)(o-methylphenyl)methane; 2,4'-Dimethyldiphenylmethane; 2,4'-Ditolylmethane; o,p'-Ditolylmethane; o-(4-Methylbenzyl)toluene;o-(p-Methylbenzyl)toluene; o-Tolyl(p-tolyl)methane |
IUPAC Name: | 1-methyl-2-[(4-methylphenyl)methyl]benzene |
Description: | 1-Methyl-2-(4-methylbenzyl)benzene is used in preparation of N-heterocyclic carbene-palladium complexes for Suzuki-Miyaura coupling reaction of benzyl chlorides with arylboronic acids to afford diarylmethanes. |
Molecular Weight: | 196.29 |
Molecular Formula: | C15H16 |
Canonical SMILES: | CC1=CC=C(C=C1)CC2=CC=CC=C2C |
InChI: | InChI=1S/C15H16/c1-12-7-9-14(10-8-12)11-15-6-4-3-5-13(15)2/h3-10H,11H2,1-2H3 |
InChI Key: | YSUXUWZNEAXNCX-UHFFFAOYSA-N |
References: | Li, Yi-Jun, et al. Applied Organometallic Chemistry, 33, (2019). |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.12520051 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.12520051 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5 |
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