5-[(dimethylamino)methyl]-2H-triazole-4-carbaldehyde;2,2,2-trifluoroacetic acid

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 5-[(dimethylamino)methyl]-2H-triazole-4-carbaldehyde;2,2,2-trifluoroacetic acid
• 化学式: C8H11F3N4O3
• 分子量: 268.19
• InChiKey: BPKWAIJCWFIGFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.31
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  99.2
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• PROCESS FOR THE PREPARATION OF 2-(R)-(1- (R)-(3,5-BIS (TRIFLUOROMETHYL) PHENYL)ETHOXY) -4-((5-DIMETHYLAMINOMETHYL) -1,2,3-TRIAZOL -4-YL)METHYL) -3-(S)-(4- FLUOROPHENYL) MORPHOLINE
  申请人：Merck & Co., Inc.

  公开号：EP1124826A1

  公开（公告）日：2001-08-22
• US6051717A
  申请人：——

  公开号：US6051717A

  公开（公告）日：2000-04-18
• [EN] PROCESS FOR THE PREPARATION OF 2-(R)-(1- (R)-(3,5-BIS (TRIFLUOROMETHYL) PHENYL)ETHOXY) -4-((5-DIMETHYLAMINOMETHYL) -1,2,3-TRIAZOL -4-YL)METHYL) -3-(S)-(4- FLUOROPHENYL) MORPHOLINE<br/>[FR] PROCEDE DE PREPARATION DE 2-(R)-(1- (R)-(3,5-BIS (TRIFLUOROMETHYL) PHENYL)ETHOXY) -4-((5-DIMETHYLAMINOMETHYL) -1,2,3-TRIAZOL -4-YL)METHYL) -3-(S)-(4- FLUOROPHENYL) MORPHOLINE
  申请人：MERCK & CO INC

  公开号：WO2000026215A1

  公开（公告）日：2000-05-11

  The present invention is directed to the compound 4-N,N-dimethylaminomethyl -5-formyl-1, 2,3 -triazole (I) which is a valuable intermediate in a novel convergent process for the preparation of 2-(R)-(1- (R)-(3,5-bis (trifluoromethyl) phenyl)-ethoxy) -4-(5-(dimethylamino) methyl-1,2,3-triazol -4-yl)methyl) -3-(S)-(4- fluorophenyl) morpholine (II) which is a potent and selective substance P (or neurokinin-1) receptor antagonist useful as a therapeutic agent.