18856-69-4Relevant articles and documents
Conformational studies of aminomethylene-malonic acid dimethylester and its N-methyl derivatives using vibrational spectroscopy, X-ray analysis and ab initio calculations
Gróf,Gatial,Matějka,Ko?í?ek,Milata,Prónayová
, p. 54 - 61 (2009)
The IR and Raman spectra of aminomethylene-malonic acid dimethylester (AMDME) [NH2{single bond}CH{double bond, long}C(COOCH3)2] and its N-methyl derivatives (MAMDME and DMAMDME) were measured in solid phase and in different solvents at various temperatures. X-ray analysis revealed that AMDME exists in solid phase as EZ conformer, MAMDME as ZZa conformer and DMAMDME as ZE conformer (the first and second E or Z letters express the orientation of the carbonyl oxygen to the C{double bond, long}C double bond for trans and cis methylester group, respectively, and the third letter a denotes anti position of methylamino group with respect to the C{double bond, long}C double bond). In less polar solutions dominantly two ZZ and EZ conformational forms of AMDME and ZZa and EZa of MAMDME are observed, whereas in more polar environments a third conformational form (ZE and ZEa, respectively) also appeared. The behaviour of DMAMDME is different because there is no intramolecular hydrogen bond and in less polar solutions exists in two ZZ and ZE conformational forms. Very weak indications of a third conformational form (probably EZ conformer) were observed only in more polar surroundings. From the solution IR temperature dependent spectra the energy difference between ZE and ZZ conformers of ΔH = 1.8 ± 0.5 kJ mol-1 in chloroform and ΔH = 4.2 ± 0.5 kJ mol-1 in acetonitrile was estimated with the ZZ one being more stable. The geometries and relative energies of the possible conformers of all three compounds were evaluated using ab initio MP2 and DFT B3LYP methods in 6-31G** basis set with PCM solvent effect inclusion. The influence of environment polarity on the conformational equilibrium is discussed.
Synthesis method of 2-(aminomethyl)-N1,N1-dimethylpropane-1,3-diamine trihydrochloride
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Paragraph 0071; 0073; 0081; 0083; 0091; 0093; 0101; 0103, (2020/08/27)
The invention provides a synthesis method of 2-(aminomethyl)-N1,N1-dimethylpropane-1,3-diamine trihydrochloride. The synthesis method comprises the following steps: S1, reacting malonic acid dicarboxylic acid with DMF-DMA to generate an intermediate 1; S2
SUBSTITUTED NITROGEN CONTAINING COMPOUNDS
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Page/Page column 64; 65, (2019/01/05)
Disclosed are compounds of Formula (I): or a salt thereof, Formula (II) wherein R1 is: or; each W is independently NR1b or O; Z is a bond or CHR1d; and R1, R2, Rd, R3a, R3b, L1, B, V, Y, and n are defined herein. Also disclosed are methods of using such compounds as inhibitors of ROMK, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating cardiovascular diseases.
