Bisphosphoramidate derivatives: synthesis, crystal structure, anti-cholinesterase activity, insecticide potency and QSAR analysis

• Published in: Journal of the Iranian Chemical Society Vol. 14; no. 2; pp. 427 - 442
• Main Authors: Gholivand, Khodayar, Ebrahimi Valmoozi, Ali Asghar, Salahi, Mina, Taghipour, Fatemeh, Torabi, Elham, Ghadimi, Saied, Sharifi, Mahboobeh, Ghadamyari, Mohammad
• Format: Journal Article
• Language: English
• Published: Berlin/Heidelberg Springer Berlin Heidelberg 01.02.2017; Springer Nature B.V
• Subjects: Analytical Chemistry; Biochemistry; Chemical synthesis; Chemistry; Chemistry and Materials Science; Cholinesterase; Critical point; Crystal structure; Electron density; Hydrogen bonding; Hydrogen-based energy; Inorganic Chemistry; Insecticides; Insects; Mathematical models; Molecular orbitals; Nitrogen; NMR; Nuclear magnetic resonance; Organic Chemistry; Original Paper; Parameters; Physical Chemistry; Principal components analysis; Spectral methods; Temephos; QSAR; Cholinesterase inhibitor; Bisphosphoramidate; Hydrogen bond

A series of temephos (Tem) derivatives with the general structure of P(O)NH–X–NHP(O) ( 1–22 ) were synthesized and characterized by 31 P, 13 C, 1 H NMR and FT-IR spectral techniques. The electron density ( ρ ) value at the bond critical point (bcp) of P(1′)–O(1′)···(1)H–N(1) (0.040 e Å −3 ) P(1)–O(1...