(S)-6-chloro-4-(hex-1-ynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one | 1370794-53-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: (S)-6-chloro-4-(hex-1-ynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
• 英文别名: (S)-6-chloro-4-(hex-1-yn-1-yl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one；(4S)-6-chloro-4-hex-1-ynyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
• CAS: 1370794-53-8
• 化学式: C₁₅H₁₃ClF₃NO₂
• 分子量: 331.722
• InChiKey: FHIJZRXBVQBRFB-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(2-氨基-5-氯苯基)-2,2,2-三氟乙酮 在 diethylzinc 、 (1S,2R)-1-苯基-2-(1-吡咯烷基)-1-丙醇 正丁基锂 、 sodium carbonate 作用下， 以 四氢呋喃 、 正庚烷 、 水 、 乙酸乙酯 、 异丙醇 、 甲苯 为溶剂， 反应 4.66h， 生成 (S)-6-chloro-4-(hex-1-ynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
  参考文献：
  名称：

  [EN] PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS
  [FR] PROCÉDÉ DE SYNTHÈSE DE D'ALCOOLS PROPARGYLIQUES CHIRAUX CYCLIQUES

  摘要：

  手性丙炔基醇的合成过程。

  公开号：

  WO2012048887A1

文献信息

• [EN] PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES<br/>[FR] PROCÉDÉ DE SYNTHÈSE DE CARBAMATES CYCLIQUES
  申请人：LONZA AG

  公开号：WO2012048884A1

  公开（公告）日：2012-04-19

  The invention is directed to a process for the preparation of a cyclic carbamate starting with a chiral propargylic alcohol and/or a suitable salt thereof, which is reacted with a cyclisation agent selected from phosgene, diphosgene, triphosgene and mixtures thereof, and in that the reaction is carried out in the presence of an aqueous base, and a water-immiscible organic solvent, said organic solvent mainly comprising at least one compound selected from C2-5-alkyl C2-5-carboxylates and mixtures of at least one C2-5-alkyl C2-5-carboxylate with at least one C5-8-alkane. Another aspect of the invention is directed to a process for the synthesis of said cyclic carbamate starting described above, wherein also a process for the preparation of the chiral propargylic alcohol is provided.

  本发明涉及一种以手性炔丙醇和/或适当的盐为起始物，通过选择光气、二光气、三光气及其混合物作为环化剂进行反应，以制备环状碳酸酯的方法，其中反应在水性碱和与水不混溶的有机溶剂的存在下进行，所述有机溶剂主要由至少一种C2-5-烷基C2-5-羧酸酯和至少一种C2-5-烷基C2-5-羧酸酯与至少一种C5-8-烷烃的混合物组成。发明的另一方面涉及上述描述的环状碳酸酯的合成过程，其中还提供了制备手性炔丙醇的方法。
• Liquid phosgenation reagent comprising triphosgene and diphosgene
  申请人：Lonza Ltd

  公开号：EP2581363A1

  公开（公告）日：2013-04-17

  Preparation and use of a liquid phosgenation reagent.

  液体腈化试剂的制备和使用。
• PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS
  申请人：Brenner Meinrad

  公开号：US20130324763A1

  公开（公告）日：2013-12-05

  A process for the synthesis of chiral propargylic alcohols.

  合成手性丙炔基醇的过程。
• PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES
  申请人：Brenner Meinrad

  公开号：US20130211077A1

  公开（公告）日：2013-08-15

  The invention is directed to a process for the preparation of a cyclic carbamate starting with o-aminobenzyl alcohol and/or a suitable salt thereof, which is reacted with a cyclisation agent selected from phosgene, diphosgene, triphosgene and mixtures thereof, and in that the reaction carried out in the presence of an aqueous base, and a water-immiscible organic solvent, said organic solvent mainly comprising at least one compound selected from C 2-5 -alkyl C 2-5 -carboxylates and mixtures of at least one C 2-5 -alkyl C 2-5 -carboxylate with at least one C 5-8 -alkane.

  本发明涉及一种制备环状氨基甲酸酯的方法，其以o-氨基苄醇和/或适当的盐为起始物，与选择自光气、双光气、三光气和其混合物的环化试剂反应，并在水性碱和一种不溶于水的有机溶剂的存在下进行反应，所述有机溶剂主要包括至少一种选择自C2-5烷基C2-5羧酸酯和至少一种C5-8烷烃的混合物。
• Process for the Synthesis of Chiral Propargylic Alcohols
  申请人：Bristol-Myers Squibb Company

  公开号：US20160326101A1

  公开（公告）日：2016-11-10

  A process for the synthesis of chiral propargylic alcohols.