4-methyl-3-phenylhexanal | 69248-34-6

• 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: 4-methyl-3-phenylhexanal
• CAS: 69248-34-6
• 化学式: C₁₃H₁₈O
• 分子量: 190.285
• InChiKey: MHJJSUXMSBDDDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  diethyl 4-(sec-butyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 、 肉桂醛 在 C₃₇H₃₁F₃₀NOSi 、 三氟乙酸 作用下， 以 乙腈 为溶剂， 反应 14.0h， 以74%的产率得到4-methyl-3-phenylhexanal
  参考文献：
  名称：

  通过激动的离子离子催化在烯烃的β-碳上直接立体选择安装烷基片段

  摘要：

  通过竞争1,2-加成歧管，在α，β-不饱和醛的β位置直接引入sp 3碳片段变得非常复杂。现有的基于使用有机金属试剂或基态亚胺离子活化的催化对映选择性共轭加成方法无法提供通用且有效的解决方案。我们在这里报道，通过将它们变成强氧化剂，手性亚胺离子的可见光激发触发了立体可控的自由基途径，该途径独家提供了带有各种烷基片段的高度对映体富集的β-取代的醛。

  DOI：

  10.1021/acscatal.7b03788

文献信息

• The effects of in-sity trimethylsilyl chloride on the regioselectivity of the addition of α-alkoxy- and α-alkyl-substituted organocuprates to enals
  作者：Russell J. Kinderman、Joyce R. McKenzie

  DOI：10.1016/0022-328x(89)87349-8

  日期：1989.2

  The regioselectivity of the addition of α-substituted organocuprates to enals has been examined. The addition of trimethylsilyl chloride to both the enal and cuprate prior to the combination of the reactants improves the regioselectivity and the isolated yield for the 1,4-addition product.

  已经研究了将α-取代的有机铜酸酯添加到烯醛中的区域选择性。在反应物结合之前，将三甲基甲硅烷基氯同时加入到烯醛和铜酸盐中，可提高区域选择性，并提高了1,4-加成产物的分离产率。
• Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound
  申请人：Eisai Co., Ltd.

  公开号：US20040220193A1

  公开（公告）日：2004-11-04

  The present invention provides a novel compound having a superior calcium antagonism, in particular, a neuron-selective calcium antagonism. Namely, it provides a compound represented by the following formula, a salt thereof or a hydrate of them. 1 In the formula, Ar indicates an optionally substituted 5- to 14-membered aromatic ring etc.; the ring A indicates any one ring selected from a piperazine, a homopiperazine, a piperidine and the like; the ring B indicates an optionally substituted C 3-14 hydrocarbon ring etc.; E indicates a single bond, a group represented by the formula —CO—, etc.; X indicates a single bond, an oxygen atom etc.; R 1 indicates a hydrogen atom, a halogen atom, a hydroxyl group etc.; and D 1 , D 2 , W 1 and W 2 are the same as or different from each other and each represents a single bond or an optionally substituted C 1-6 alkylene chain.

  本发明提供了一种具有卓越的钙拮抗作用，特别是神经元选择性钙拮抗作用的新化合物。即，提供了下式所示的化合物、其盐或水合物。其中，Ar表示可选取的5-至14-成员芳香环等；环A表示选自哌嗪、同哌嗪、吡啶等任意一环；环B表示可选取的C3-14碳氢环等；E表示单键、由公式—CO—表示的基团等；X表示单键、氧原子等；R1表示氢原子、卤原子、羟基等；D1、D2、W1和W2相同或不同，每个代表单键或可选取的C1-6烷基链。
• Piperazine compound and pharmaceutical composition containing the compound
  申请人：Yamamoto Noboru

  公开号：US06906072B1

  公开（公告）日：2005-06-14

  The present invention provides a novel compound having a superior calcium antagonism, in particular, a neuron-selective calcium antagonism. Namely, it provides a compound represented by the following formula, a salt thereof or a hydrate of them. In the formula, Ar indicates an optionally substituted 5- to 14-membered aromatic ring etc.; the ring A indicates any one ring selected from a piperazine, a homopiperazine, a piperidine and the like; the ring B indicates an optionally substituted C 3-14 on hydrocarbon ring etc.; E indicates a single bond, a group represented by the formula —CO—, etc.; X indicates a single bond, an oxygen atom etc.; R 1 indicates a hydrogen atom, a halogen atom, a hydroxyl group etc.; and D 1 , D 2 , W 1 and W 2 are the same as or different from each other and each represents a single bond or an optionally substituted C 1-6 alkylene chain.

  本发明提供了一种具有优异的钙拮抗作用的新化合物，特别是神经元选择性钙拮抗作用。即，提供了以下式子所表示的化合物，其盐或水合物。在该式子中，Ar表示可选择性取代的5-至14-成员芳香环等；环A表示从哌嗪、同哌嗪、哌啶等中选择的任一环；环B表示可选择性取代的C3-14的碳氢环等；E表示单键、由式子- CO-等表示的基团等；X表示单键、氧原子等；R1表示氢原子、卤素原子、羟基等；D1、D2、W1和W2彼此相同或不同，每个代表单键或可选择性取代的C1-6烷基链。
• Saturated heterocyclic carboxamide derivatives
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0279681A2

  公开（公告）日：1988-08-24

  A saturated heterocyclic carboxamide derivative of the following general formula (I) and salts thereof which have platelet activating factor (PAF) antagonizing activity.

  具有血小板活化因子（PAF）拮抗活性的下式（I）饱和杂环羧酰胺衍生物及其盐类。
• Benzimidazolinone derivatives
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0454330A1

  公开（公告）日：1991-10-30

  Benzimidazolinone derivatives of the general formula (I): wherein R1, R2 and R3, which may be the same or different, each is a hydrogen or halogen atom or a lower alkyl, halo-lower alkyl, hydroxy-lower alkyl, hydroxyl, lower alkoxy, aryloxy, acyl, cyano, carboxyl, a lower alkoxycarbonyl, carbamoyl, nitro or nitrogen-containing 5- or 6-membered heterocyclic group; A is an ethylene group which may optionally have at least one branch ; R4 and R5, which may be the same or different, each is a lower alkyl group or R4 and R5, together with the adjacent nitrogen atom, represent a pyrrolidinyl, piperidino or a morpholino group provided that when is a piperidino or diethylamino group, at least one of R1, R2 and R3 is other than a hydrogen atom, or pharmaceutically acceptable salts thereof, methods of producing the same and pharmaceutical compositions containing the same are disclosed. Pharmacologically, the above compounds (I) have pulmonary surfactant secretion promoting activity.

  通式(I)的苯并咪唑啉酮衍生物： 其中 R1、R2 和 R3 可以相同或不同，各自为氢原子或卤素原子或低级烷基、卤代低级烷基、羟基低级烷基、羟基、低级烷氧基、芳氧基、酰基、氰基、羧基、低级烷氧基羰基、氨基甲酰基、硝基或含氮的 5 或 6 元杂环基团；R4 和 R5（可以相同或不同）各自是低级烷基，或 R4 和 R5 与相邻的氮原子一起代表吡咯烷基、哌啶基或吗啉基，条件是 公开了 R1、R2 和 R3 中至少一个不是氢原子的哌啶或二乙胺基团，或其药学上可接受的盐类，以及生产上述化合物和含有上述化合物的药物组合物的方法。在药理学上，上述化合物（I）具有促进肺表面活性物质分泌的活性。