2-CHLORO-4-(TERT-PENTYL)-PHENOL

Step 1 Preparation of Compound 164 (1142) Compound 163 (400 mg, 2.01 mmol) and 2, 5-dibromopyridine (477 mg, 2.01 mmol) were dissolved in NMP (4.00 mL). Cesium carbonate (1.31 g, 4.03 mmol) was added to the mixture, and the mixture was stirred at 140 C. for 8 hours. Water was added to the mixture, and the mixture was extracted with ethyl acetate. The organic layer was washed with water, and dried over magnesium sulfate. The solvent was condensed under reduced pressure. The residue was purified by silica gel chromatography (hexane-ethyl acetate) to afford Compound 164 (658 mg, yield 92%). (1143) 1H NMR (CDCl3) delta: 0.73 (t, J=8.0 Hz, 3H), 1.29 (s, 6H), 1.63 (m, 2H), 6.87 (d, J=8.0 Hz, 1H), 7.11 (d, J=8.0 Hz, 1H), 7.26 (dd, J=8.0, 4.0 Hz, 1H), 7.40 (s, 1H), 7.78 (dd, J=8.0, 4.0 Hz, 1H), 8.19 (d, J=4.0 Hz, 1H).

Molecular Weight:198.69
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:198.0811428
Monoisotopic Mass:198.0811428
Topological Polar Surface Area:20.2
Heavy Atom Count:13
Complexity:168
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes