（4S，4''S，5R，5''R）-2,2''-（1-甲基亚乙基）双[4,5-二氢-4,5-二苯基恶唑] | 157825-96-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: （4S，4''S，5R，5''R）-2,2''-（1-甲基亚乙基）双[4,5-二氢-4,5-二苯基恶唑]
• 中文别名: (4S,4'S,5R,5'R)-2,2'-异丙叉双[4,5-二氢-4,5-二苯基恶唑]
• 英文名称: (4S,4'S,5R,5'R)-2,2'-(propane-2,2-diyl)bis(4,5-diphenyl-4,5-dihydrooxazole)
• 英文别名: (4S,4'S,5R,5'R)-2,2'-(1-Methylethylidene)bis[4,5-dihydro-4,5-diphenyloxazole；(4S,5R)-2-[2-[(4S,5R)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
• CAS: 157825-96-2
• 化学式: C₃₃H₃₀N₂O₂
• 分子量: 486.613
• InChiKey: ZWWGNCSTEMMQOQ-VZNYXHRGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  43.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

文献信息

• Method for Producing Optically Active Fluorinated Oxetane
  申请人：Mikami Koichi

  公开号：US20110306781A1

  公开（公告）日：2011-12-15

  Disclosed is a method of producing an optically active fluorinated oxetane, which can be an important pharmaceutical or agricultural intermediate, by reaction of a fluorinated α-keto ester with an acyl alkenyl ether in the presence of a transition metal complex with an optically active ligand. This method utilizes a catalytic asymmetric synthesis process and does not require a stoichiometric amount of chiral source. It is thus possible to dramatically reduce the amount of use of the asymmetric catalyst especially when the reaction is performed at a high concentration of substrate (with the use of a small amount of reaction solvent) or in the absence of a reaction solvent (under neat conditions). Further, the target optically active fluorinated oxetane can be obtained with high yield and with very high optical purity. The product contains almost no difficult-to-separate impurity and shows high chemical purity.

  本发明揭示了一种制备光学活性氟代氧杂环的方法，该氧杂环可作为重要的制药或农业中间体，通过在具有光学活性配体的过渡金属配合物存在下，将氟代α-酮酯与酰基烯基醚反应。该方法利用催化不对称合成过程，不需要手性源的化学计量量，因此在反应底物浓度较高（使用少量反应溶剂）或在无反应溶剂的情况下（在干燥的条件下）进行反应时，可以显著减少对不对称催化剂的使用量。此外，目标光学活性氟代氧杂环可高产率地获得，并具有非常高的光学纯度。该产品几乎不含有难以分离的杂质，并显示出高化学纯度。
• METHOD FOR PRODUCING OPTICALLY ACTIVE FLUORINE-CONTAINING CARBONYL-ENE PRODUCT
  申请人：Central Glass Company, Limited

  公开号：EP2098501B1

  公开（公告）日：2017-08-23
• Method for Producing Optically Active Fluorine-Containing Carbonyl-ene Product
  申请人：Mikami Koichi

  公开号：US20090312574A1

  公开（公告）日：2009-12-17

  An optically active, fluorine-containing carbonyl-ene product is produced by reacting a fluorine-containing α-ketoester with an alkene in the presence of a transition metal complex having an optically active ligand. There are Mode 1 of conducting this reaction in the absence of reaction solvent, Mode 2 of conducting this reaction in a solvent that is low in relative dielectric constant, and Mode 3 of conducting this reaction in a halogenated hydrocarbon-series solvent. In each of these three modes, it is possible to produce the optically active, fluorine-containing carbonyl-ene product with low cost.
• Method For Producing Optically Active Fluorine-Containing Oxeten
  申请人：Mikami Koichi

  公开号：US20130310580A1

  公开（公告）日：2013-11-21

  A method for producing an optically active fluorine-containing oxeten, the method being provided to include the steps of causing a fluorine-containing α-ketoester and an internal alkyne to react with each other in the presence of a transition metal complex that has an optically active ligand.
• US8278479B2
  申请人：——

  公开号：US8278479B2

  公开（公告）日：2012-10-02