Citation:
GAN Zi-Yun, CAO Ri-Hui, MA Qin, GUO Liang. Synthesis, Characterization and X-ray Crystal Structure of 2-Benzyl-7-butoxyl-9-isobutyl-1-methyl-β-carboline Bromide[J]. Chinese Journal of Structural Chemistry,
2015, 34(7): 1035-1040.
doi:
10.14102/j.cnki.0254-5861.2011-0622
Synthesis, Characterization and X-ray Crystal Structure of 2-Benzyl-7-butoxyl-9-isobutyl-1-methyl-β-carboline Bromide
摘要:
2-Benzyl-7-butoxyl-9-isobutyl-1-methyl-β-carboline bromide (H-2-65) was synthesized by the reaction of Harmine with 1-iodobutane via N9-alkylation, demethyl and N2-quaternarization to obtain the new compound. The results demonstrate that H-2-65 has more remarkable anticancer activities in vitro. The results of 1H NMR, 13C NMR, DEPT, gCOSY, gHSQC, gHMBC, MS, single-crystal X-ray diffraction and elemental analysis showed that the title compound crystallizes in the triclinic system, space group P1 with a=9.545(5), b=11.724(5), c=11.839(6)Å, α=77.530(6), β=87.169(6), γ=72.823(5)°, Z=2, V=1235.8(10)Å3, Dc=1.294 g·cm-3, F(000)=504, the final R=0.0453, wR=0.1262 and S=1.044.
English
Synthesis, Characterization and X-ray Crystal Structure of 2-Benzyl-7-butoxyl-9-isobutyl-1-methyl-β-carboline Bromide
Abstract:
2-Benzyl-7-butoxyl-9-isobutyl-1-methyl-β-carboline bromide (H-2-65) was synthesized by the reaction of Harmine with 1-iodobutane via N9-alkylation, demethyl and N2-quaternarization to obtain the new compound. The results demonstrate that H-2-65 has more remarkable anticancer activities in vitro. The results of 1H NMR, 13C NMR, DEPT, gCOSY, gHSQC, gHMBC, MS, single-crystal X-ray diffraction and elemental analysis showed that the title compound crystallizes in the triclinic system, space group P1 with a=9.545(5), b=11.724(5), c=11.839(6)Å, α=77.530(6), β=87.169(6), γ=72.823(5)°, Z=2, V=1235.8(10)Å3, Dc=1.294 g·cm-3, F(000)=504, the final R=0.0453, wR=0.1262 and S=1.044.
-
-
扫一扫看文章
计量
- PDF下载量: 0
- 文章访问数: 1402
- HTML全文浏览量: 42
下载:
