Synthesis, Characterization and X-ray Crystal Structure of 2-Benzyl-7-butoxyl-9-isobutyl-1-methyl-beta-carboline Bromide
Gan Zi-Yun; Cao Ri-Hui; Ma Qin; Guo Liang
| HERO ID | 4854465 |
|---|---|
| In Press | No |
| Year | 2015 |
| Title | Synthesis, Characterization and X-ray Crystal Structure of 2-Benzyl-7-butoxyl-9-isobutyl-1-methyl-beta-carboline Bromide |
| Authors | Gan Zi-Yun; Cao Ri-Hui; Ma Qin; Guo Liang |
| Journal | Chinese Journal of Structural Chemistry |
| Volume | 34 |
| Issue | 7 |
| Page Numbers | 1035-1040 |
| Abstract | 2-Benzyl-7-butoxyl-9-isobutyl-1-methyl-beta-carboline bromide (H-2-65) was synthesized by the reaction of Harmine with 1-iodobutane via N-9-alkylation, demethyl and N-2-qua-ternarization to obtain the new compound. The results demonstrate that H-2-65 has more remarkable anticancer activities in vitro. The results of H-1 NMR, C-13 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) angstrom, alpha = 77.530(6), beta = 87.169(6), gamma = 72.823(5)degrees, Z = 2, V = 1235.8(10) angstrom(3), D-c = 1.294 g.cm(-3), F(000) = 504, the final R = 0.0453, wR = 0.1262 and S = 1.044. |
| Wosid | WOS:000358635500007 |
| Is Certified Translation | No |
| Dupe Override | No |
| Is Public | Yes |
| Keyword | 2-benzyl-7-butoxyl-9-isobutyl-1-methyl-beta-carboline bromide; synthesis; crystal structure |