ethyl 2-diethylphosphono-5-(2-tetrahydropyranyloxy)heptanoate | 118586-53-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 2-diethylphosphono-5-(2-tetrahydropyranyloxy)heptanoate
• 英文别名: ethyl 2-diethoxyphosphoryl-5-(oxan-2-yloxy)heptanoate
• CAS: 118586-53-1
• 化学式: C₁₈H₃₅O₇P
• 分子量: 394.445
• InChiKey: NHKDPFIOAPOXQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 2-diethylphosphono-5-(2-tetrahydropyranyloxy)heptanoate 、 (4S,5S)-3-Benzyloxycarbonyl-5-formyl-4-isobutyl-2,2-dimethyloxazolidine 在 di-aza-bicycloundecene 、 lithium chloride 作用下， 以 四氢呋喃 、 正己烷 、 乙酸乙酯 为溶剂， 生成 ethyl 3-[(4S,5S)-3-benzyloxycarbonyl-2,2-dimethyl-4-isobutyloxazolidine-5-yl]-2-[3-(2-tetrahydropyranyloxy)propyl]-2-propenoate
  参考文献：
  名称：

  5-substituted amino-4-hydroxy-pentanoic acid derivatives and their use

  摘要：

  具有以下通式的5-取代氨基-4-羟基戊酸衍生物：##STR1##其中R1是一个氢原子或N-保护基团，R2、R3和R5可以是包括氨基酸残基侧链在内的各种基团，R4是一个氢原子或低级烷基团，R6是一个被一个或两个羟基取代的基团，R7可以是包括羟基在内的各种基团，这些化合物作为血管紧张素转化酶抑制剂，可作为降压药物使用，已公开。

  公开号：

  US04851387A1

文献信息

• 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：EP0264106A2

  公开（公告）日：1988-04-20

  A 5-substituted amino-4-hydroxy-pentanoic acid derivative having the formula: wherein R¹ is a hydrogen atom, a lower alkoxycarbonyl group, an aryloxycarbonyl group, an aralkyloxycarbonyl group or a lower alkanoyl group which may be substituted by from one to three substituents selected from the group consisting of an amino group, a hydroxyl group, a carboxyl group, an aryloxy group, an aralkyloxycarbonylamino group, a lower alkoxycarbonylamino group wherein each of X¹ and X² which may be the same or different is a hydrogen atom, a lower alkyl group, an aryl group or an aralkyl group, or X¹ and X² form together with the adjacent nitrogen atom a 5- or 6-membered heterocyclic group which may further contain a hereto atom selected from the group consisting of a nitrogen atom, an oxygen atom and a sulfur atom which may further contain a double bond in its carbon chain, each of R², R³ and R⁵ which may be the same or different is a hydrogen atom, a lower alkyl group or a residue of an acidic, neutral or basic amino acid, R⁴ is a hydrogen atom or a lower alkyl group, R⁶ is a lower alkyl, cycloalkyl, cycloalkylalkyl or aralkyl group which is substituted by one or two hydroxyl groups, R⁷ is a hydroxyl group, a -OY group wherein Y is a lower alkyl group, an aryl group, an aralkyl group, a lower alkoxyalkyl group, a lower alkanoyloxyalkyl group, a lower alkoxycarbonyloxyalkyl group or a 1-phthalidyl group, wherein each of Y¹ and Y² which may be the same or different is a hydrogen atom, a lower alkyl group, an aryl group, an aralkyl group or a cycloalkyl group, or Y¹ and Y² form together with the adjacent nitrogen atom 5- or 5-membered heterocyclic group which may further contain a hereto atom selected from the group consisting of a nitrogen atom, an oxygen atom and a sulfur atom, and each of n and m which may be the same or different is 0 or 1.

  5-取代氨基-4-羟基戊酸衍生物，其式如下 其中 R¹为氢原子、低级烷氧基羰基、芳氧基羰基、芳烷氧基羰基或低级烷酰基，该低级烷酰基可被选自氨基、羟基、羧基、芳氧基、芳烷氧基羰基氨基、低级烷氧基羰基氨基所组成的组中的一至三个取代基所取代 其中 X¹ 和 X² 可相同或不同，各自为氢原子、低级烷基、芳基或芳烷基，或 X¹ 和 X² 与邻近的氮原子一起形成 5 或 6 元杂环基团，该杂环基团可进一步包含一个从氮原子、氧原子和硫原子组成的组中选出的同族原子，该杂环基团可进一步在其碳链中包含一个双键，R²、R³ 和 R⁵ 可相同或不同，各自为氢原子、R⁴ 是氢原子或低级烷基，R⁶ 是被一个或两个羟基取代的低级烷基、环烷基、环烷基烷基或芳烷基、R⁷ 是羟基、-OY 基团，其中 Y 是低级烷基、芳基、芳烷基、低级烷氧基烷基、低级烷酰氧基烷基、低级烷氧羰氧基烷基或 1-邻苯二甲酰基、 其中Y¹和Y²可以相同或不同，各自为氢原子、低级烷基、芳基、芳烷基或环烷基，或Y¹和Y²与相邻的氮原子一起形成5元或5元杂环基团，该杂环基团可进一步包含一个从氮原子、氧原子和硫原子组成的组中选出的同位原子，且n和m可以相同或不同，各自为0或1。
• US4851387A
  申请人：——

  公开号：US4851387A

  公开（公告）日：1989-07-25
• 5-substituted amino-4-hydroxy-pentanoic acid derivatives and their use
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US04851387A1

  公开（公告）日：1989-07-25

  A 5-substituted amino-4-hydroxy-pentanoic acid derivative having the formula: ##STR1## wherein R.sup.1 is a hydrogen atom or an N-protecting group, R.sup.2, R.sup.3 and R.sup.5 may be any of a variety of groups including the side chains of amino acid residues, R.sup.4 is a hydrogen atom or a lower alkyl group, R.sup.6 is a group which is substituted by one or two hydroxyl groups, and R.sup.7 is any of a variety of groups, including a hydroxyl group, which compounds are renin inhibitors useful as hypotensive drugs, are disclosed.

  具有以下通式的5-取代氨基-4-羟基戊酸衍生物：##STR1##其中R1是一个氢原子或N-保护基团，R2、R3和R5可以是包括氨基酸残基侧链在内的各种基团，R4是一个氢原子或低级烷基团，R6是一个被一个或两个羟基取代的基团，R7可以是包括羟基在内的各种基团，这些化合物作为血管紧张素转化酶抑制剂，可作为降压药物使用，已公开。