4-tert-Butylanisole - CAS 5396-38-3
Catalog: |
BB028419 |
Product Name: |
4-tert-Butylanisole |
CAS: |
5396-38-3 |
Synonyms: |
1-tert-butyl-4-methoxybenzene |
IUPAC Name: | 1-tert-butyl-4-methoxybenzene |
Description: | 4-tert-Butylanisole (CAS# 5396-38-3) is used as a reactant in nucleophilic substitution of para-substituted phenol ethers in the presence of a hypervalent iodine compound. |
Molecular Weight: | 164.24 |
Molecular Formula: | C11H16O |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)OC |
InChI: | InChI=1S/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3 |
InChI Key: | MCUPBIBNSTXCPQ-UHFFFAOYSA-N |
Boiling Point: | 80 °C / 1.5 mmHg |
Density: | 0.938 g/cm3 |
MDL: | MFCD00026309 |
LogP: | 2.99270 |
Publication Number | Title | Priority Date |
CN-113121387-A | Organic compound, mixture containing the same, composition and organic electronic device | 20191230 |
WO-2021135841-A1 | Organic electroluminescence device and aromatic compound containing fused-ring | 20191230 |
CN-112321584-A | Organic compound, high polymer, mixture, composition and electronic device | 20191227 |
CN-112341482-A | Organic compound, high polymer, mixture, composition and electronic device | 20191227 |
CN-113045606-A | Transition metal complexes, polymers, mixtures, compositions and organic electronic devices | 20191227 |
PMID | Publication Date | Title | Journal |
15570395 | 20041101 | Mechanism of photoacid generation for an arylcycloalkylsulfonium salt by ring opening and aryl cleavage | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
12188653 | 20020828 | Tetrakis(2-hydroxyphenyl)ethene and derivatives. A structurally preorganized tetradentate ligand system for polymetallic coordination chemistry and catalysis | Journal of the American Chemical Society |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.12011513 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.12011513 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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