4-Amino-3-chlorobenzoic acid

White powder

4-Amino-3-chloro-N-thiazol-2-yl-benzamide : 4-Amino-3-chloro-benzoic acid methyl ester (21.6 mmol) was saponified in EtOH (25 ml) and NaOH (1M, 25 ml) at reflux for 2h. The organic solvent was evaporated and pH adjusted to 4. The product was removed by filtration, washed with water and dried in vacuo. Yield: 92percent 1H NMR (D6-DMSO) : 6.15 (s, 2H); 6.79 (d, 1H); 7.59 (dd, 1H); 7.71 (d, 1H); 12.37 (br s, 1H).4-Amino-3-chloro-benzoic acid methyl ester (21.6 mmol) was saponified in EtOH (25 ml) and NaOH (IMPreparation of 4-Amino-3-chloro-benzoic Acid A suspension of 4-amino-3-chlorobenzonitrile (4.82 g, 31.58 mmol) was heated to reflux in 6N HCl (140 ml). The precipitate dissolved upon heating to give a colorless solution. Upon further heating the solution became cloudy. After 9 hours the reaction was cooled to room temperature. The resulting precipitate was filtered, then dissolved in THF and the solvent evaporated. The residue was repeatedly concentrated from toluene to give a white solid (3.18 g, 59% yield). 1H-NMR (500 MHz, CD3OD:CDCl3 1:4) delta 6.80 (d, 1H), 7.75 (dd, 1H), 7.94 (d, 1H). Analytical HPLC (cyano column) 8.73 min.Examples of some specific acids that can be converted to diphosphonates of formula R--Z according to any of the foregoing procedures are the following: m-aminobenzoic acid, p-aminobenzoic acid,

Molecular Weight:171.58
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:171.0087061
Monoisotopic Mass:171.0087061
Topological Polar Surface Area:63.3
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes