4-AMINOMETHYL-BENZOICACIDETHYLESTER

Preparation of p-aminomethylbenzoic acid ethyl ester General procedure: Under the protection of argon, the complex represented by the catalyst formula 1 (0.5-1 mol%), ammonia borane (0.6 _1.5 equiv), benzonitrile (0.5 mmol) and n-hexane (2 mL) were sequentially added to a 25 mL shrek bottle containing a magnetic stirrer and reacted at 25-50C for 16 hours. After the reaction was completed, the reaction mixture was diluted with 5 mL of methanol. The reaction product was quantified by GC using biphenyl as an internal standard.Preparation of General procedure: Samples were prepared in2mLHPLCvials using anAndrewAlliance pipetting robot. The 24 analyte compounds wereprepared in 0.05% H2SO4 in three different solvents (methanol, ethanol, and isopropanol) for esterification to the b, c, and d compounds by adding a few crystals of each analytecompound to the vials and mixing. Dissolved analytes werestored at room temperature for 2 d to allow for esterificationof the carboxylic acid to occur.

Molecular Weight:179.22
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:179.094628657
Monoisotopic Mass:179.094628657
Topological Polar Surface Area:52.3
Heavy Atom Count:13
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes