4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]benzoic Acid

Pale Pink Solid

Synthesis of 3.7: To a solution of NaOH (19.70 g, 492.48 mmol) in H20 (300.00 mL) and MeOH (100.00 mL) was added 3.6 (57.50 g, 123.12 mmol) in THE (600.00 mL) at room temperature. The reaction mixture was stirred at 80 00 for 1 Oh. An excess of solvent was concentratedand the residue was poured into ice-water (1 L). The resulting mixture was adjusted to pH = 56, and white solid precipitated. The solid was collected by filtration and dried to afford the 3.7 (50.00 g, 113.90 mmol, 93percent yield). MS (ESI) m/z = 439 [M÷H]. 1H NMR (400 M, DMSO-d6), 10.63 (br, 1H), 7.75 (d, 2H, J= 8.8 Hz), 7.38 (d, 2H, J= 8.4 Hz), 7.12 (d, 2H, J= 8.0 Hz, Ph), 6.91 (m, 2H, J= 8.8 Hz), 3.84 (m, 2H), 3.58 (m, 2H), 3.39 (m, 2H), 2.78 (m, 2H), 2.28 (m, 2H), 2.21 (m, 2H), 1.47 (m, 2H), 1.00 (s, 6H).S nthesis of intermediate 18 (0443) (0444) 17 18(0445)

Intermediate in the production of cell death regulators and apoptosis promoters.

Molecular Weight:439.0
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:438.2074059
Monoisotopic Mass:438.2074059
Topological Polar Surface Area:43.8
Heavy Atom Count:31
Complexity:652
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes