2-[Methoxy(diphenyl)methyl]pyrrolidine | 118971-03-2

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[Methoxy(diphenyl)methyl]pyrrolidine
• CAS: 118971-03-2
• 化学式: C₁₈H₂₁NO
• 分子量: 267.4
• InChiKey: CGUGCZSRPDCLBT-UHFFFAOYSA-N

物化性质

• 沸点：
  368.7±32.0 °C(Predicted)
• 密度：
  1.070±0.06 g/cm3(Predicted)
• 溶解度：
  溶于二氯甲烷、乙酸乙酯

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R22
• 海关编码：
  2933990090
• WGK Germany：
  3

文献信息

• CATALYST FOR ASYMMETRIC HYDROGENATION
  申请人：MAEDA Hironori

  公开号：US20100324338A1

  公开（公告）日：2010-12-23

  This invention aims at providing a catalyst for producing an optically active aldehyde or an optically active ketone, which is an optically active carbonyl compound, by carrying out selective asymmetric hydrogenation of an α,β-unsaturated carbonyl compound, particularly a catalyst which is insoluble in a reaction mixture for obtaining optically active citronellal which is useful as a flavor or fragrance, by carrying out selective asymmetric hydrogenation of citral, geranial or neral; and a method for producing a corresponding optically active carbonyl compound. The invention relates to a catalyst for asymmetric hydrogenation of an α,β-unsaturated carbonyl compound, which comprises a powder of at least one metal selected from metals belonging to Group 8 to Group 10 of the Periodic Table, or a metal-supported substance in which at least one metal selected from metals belonging to Group 8 to Group 10 of the Periodic Table is supported on a support, an optically active cyclic nitrogen-containing compound and an acid.

  这项发明旨在通过对α，β-不饱和羰基化合物进行选择性不对称加氢，特别是通过对柠檬醛、香叶醛或柠檬醛进行选择性不对称加氢，从而提供用作香料或香精的有用的光学活性香茅醛的催化剂，该香茅醛是一种光学活性羰基化合物；以及生产相应的光学活性羰基化合物的方法。该发明涉及一种用于不对称加氢α，β-不饱和羰基化合物的催化剂，其包括来自周期表第8至第10族金属中至少一种金属的粉末，或者至少一种来自周期表第8至第10族金属的金属负载物质，该金属负载在一种支撑物上，还包括光学活性的含氮环化合物和酸。
• Z-TYPE SOLANONE, PREPARATION METHOD THEREFOR, AND USE
  申请人：China Tobacco Yunnan Industrial Co., Ltd

  公开号：EP3954675A1

  公开（公告）日：2022-02-16

  The invention discloses a (Z)-solanone, having the steric formula: or with the name of (S,Z)-5-isopropyl-8-methyl-6,8-diene-2-one or (R,Z)-5-isopropyl-8-methyl-6,8-diene-2-one. The invention further discloses a process for the preparation of the (Z)-type solanone and the use thereof in flavoring of cigarette shred.

  本发明公开了一种(Z)-solanone，具有立体式： 或 名称为(S,Z)-5-异丙基-8-甲基-6,8-二烯-2-酮或(R,Z)-5-异丙基-8-甲基-6,8-二烯-2-酮。本发明进一步公开了(Z)型茄酮的制备工艺及其在卷烟香精中的用途。
• (z)-solanone, and preparation process and use thereof
  申请人：CHINA TOBACCO YUNNAN INDUSTRIAL CO., LTD

  公开号：US11198665B1

  公开（公告）日：2021-12-14

  A (Z)-solanone has the steric formula of: or with the name of (S,Z)-5-isopropyl-8-methyl-6,8-diene-2-one or (R,Z)-5-isopropyl-8-methyl-6,8-diene-2-one. A process for the preparation of the (Z)-type solanone and the use thereof in flavoring of cigarette shred are further disclosed. The process includes the following steps: (1) reacting isopentanal and methyl vinyl ketone, under the action of a catalyst and a co-catalyst, to give (S)-2-isopropyl-5-carbonylhexanal or (R)-2-isopropyl-5-carbonylhexanal; (2) reacting the (S)-2-isopropyl-5-carbonylhexanal or the (R)-2-isopropyl-5-carbonylhexanal obtained in step (1) with (iodomethyl)triphenylphosphonium iodide, to give (S,Z)-7-iodo-5-isopropyl-6-ene-2-one or (R,Z)-7-iodo-5-isopropyl-6-ene-2-one; and (3) reacting the (S,Z)-7-iodo-5-isopropyl-6-ene-2-one or the (R,Z)-7-iodo-5-isopropyl-6-ene-2-one obtained in step (2) with pinacol isopropenylborate in the presence of a catalyst to give the (Z)-solanone.

  (Z)-索拉酮的立体结构式为 或 (S,Z)-5-异丙基-8-甲基-6,8-二烯-2-酮或(R,Z)-5-异丙基-8-甲基-6,8-二烯-2-酮。进一步公开了制备 (Z) 型茄酮的工艺及其在香烟切片香料中的用途。该工艺包括以下步骤：(1) 在催化剂和助催化剂的作用下，使异戊醛和甲基乙烯基甲酮反应，得到(S)-2-异丙基-5-羰基己醛或(R)-2-异丙基-5-羰基己醛；(2) 将步骤(1)中得到的(S)-2-异丙基-5-甲酰己醛或(R)-2-异丙基-5-甲酰己醛与(碘甲基)三苯基碘化鏻反应，得到(S,Z)-7-碘-5-异丙基-6-烯-2-酮或(R,Z)-7-碘-5-异丙基-6-烯-2-酮；(3) 在催化剂存在下，将步骤(2)中得到的(S,Z)-7-碘-5-异丙基-6-烯-2-酮或(R,Z)-7-碘-5-异丙基-6-烯-2-酮与异丙烯硼酸频哪醇酯反应，得到(Z)-solanone。
• USE OF ASYMMETRIC HYDROGENATION CATALYST
  申请人：Takasago International Corporation

  公开号：EP2438989B1

  公开（公告）日：2016-04-13
• (Z)-SOLANONE, AND PREPARATION PROCESS AND USE THEREOF
  申请人：CHINA TOBACCO YUNNAN INDUSTRIAL CO., LTD

  公开号：US20210380517A1

  公开（公告）日：2021-12-09

  A (Z)-solanone has the steric formula of: with the name of (S,Z)-5-isopropyl-8-methyl-6,8-diene-2-one or (R,Z)-5-isopropyl-8-methyl-6,8-diene-2-one. A process for the preparation of the (Z)-type solanone and the use thereof in flavoring of cigarette shred are further disclosed. The process includes the following steps: (1) reacting isopentanal and methyl vinyl ketone, under the action of a catalyst and a co-catalyst, to give (S)-2-isopropyl-5-carbonylhexanal or (R)-2-isopropyl-5-carbonylhexanal; (2) reacting the (S)-2-isopropyl-5-carbonylhexanal or the (R)-2-isopropyl-5-carbonylhexanal obtained in step (1) with (iodomethyl)triphenylphosphonium iodide, to give (S,Z)-7-iodo-5-isopropyl-6-ene-2-one or (R,Z)-7-iodo-5-isopropyl-6-ene-2-one; and (3) reacting the (S,Z)-7-iodo-5-isopropyl-6-ene-2-one or the (R,Z)-7-iodo-5-isopropyl-6-ene-2-one obtained in step (2) with pinacol isopropenylborate in the presence of a catalyst to give the (Z)-solanone.