N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(8alpha,9S)-6'-methoxycinchonan-9-yl]thiourea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(8alpha,9S)-6'-methoxycinchonan-9-yl]thiourea
• 英文别名: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]thiourea
• 化学式: C₂₉H₂₈F₆N₄OS
• 分子量: 594.6
• InChiKey: IQMKPBFOEWWDIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  81.5
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• PREPARATION OF SITAGLIPTIN INTERMEDIATES
  申请人：LEK PHARMACEUTICALS D.D.

  公开号：US20140187558A1

  公开（公告）日：2014-07-03

  The invention relates to the preparation of chiral compounds, in particular to the preparation of chiral compounds which may be used as intermediates for the preparation of anti-diabetic agents, preferably sitagliptin.

  该发明涉及手性化合物的制备，特别是涉及可用作抗糖尿病药物中间体制备的手性化合物的制备，最好是西他列汀。
• PROCESS FOR THE PREPARATION OF GAMMA AMINO ACIDS AND INTERMEDIATES USED IN SAID PROCESS
  申请人：Royal College of Surgeons in Ireland

  公开号：US20140336412A1

  公开（公告）日：2014-11-13

  The invention relates to the preparation of gamma amino acids of formula (I) and pharmaceutically acceptable salts, solvates and prodrugs thereof, and to intermediates used for their preparation. (formula I) wherein R 1 is selected from an alkyl group, an alkenyl group, an alkynyl group and a cycloalkyl group, each of which may be optionally substituted and * denotes a chiral centre. In particular, the present invention provides an efficient synthesis of (S)-pregabalin which is suitable for carrying out on an industrial scale.

  本发明涉及制备公式(I)的γ-氨基酸及其药学上可接受的盐、溶剂化物和前药，以及用于它们制备的中间体。(公式I)其中R1选自烷基、烯基、炔基和环烷基，每个基团均可选择性地被取代，*表示手性中心。特别地，本发明提供了一种适用于工业规模的(S)-pregabalin的高效合成方法。
• US9359385B2
  申请人：——

  公开号：US9359385B2

  公开（公告）日：2016-06-07
• US9593071B2
  申请人：——

  公开号：US9593071B2

  公开（公告）日：2017-03-14
• [EN] TRANSFORMATIONS OF MESO-LACTIDE<br/>[FR] TRANSFORMATIONS DU MÉSO-LACTIDE
  申请人：UNIV COLORADO STATE RES FOUND

  公开号：WO2017041017A1

  公开（公告）日：2017-03-09

  B/N Lewis pairs have been discovered to catalyze rapid epimerization of meso-lactide (LA) or LA diastereomers quantitatively into rac-LA. The obtained rac-LA can be kinetically polymerized into poly(L-lactide) and optically resolved D-LA, with a high stereoselectivity factor kL/kD of 53 and an ee value of 91% at 50.6% monomer conversion, by a bifunctional chiral catalyst. The epimerization and enantioselective polymerization can be coupled into a one-pot process for transforming meso-LA directly into poly(L-lactide) and D-LA.