7,7-dimethyl-4-octenoic acid | 84565-01-5

• 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: 7,7-dimethyl-4-octenoic acid
• 英文别名: (E)-7,7-dimethyloct-4-enoic acid
• CAS: 84565-01-5
• 化学式: C₁₀H₁₈O₂
• 分子量: 170.252
• InChiKey: JDHJLFUDGZNVAX-GQCTYLIASA-N

物化性质

• 沸点：
  262.2±9.0 °C(Predicted)
• 密度：
  0.935±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-ethoxy-5-vinyltetrahydrofurane 在 copper(l) iodide 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 7,7-dimethyl-4-octenoic acid
  参考文献：
  名称：

  Simple methods for the syntheses of (E)-4- and (E)-5-alkenoic acids by the SN2′ type reactions of γ-vinyl-γ-butyrolactone and δ-vinyl-δ-valerolactone with organocopper reagents

  摘要：

  DOI：

  10.1016/s0040-4039(00)87676-5

文献信息

• 7-oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US05100889A1

  公开（公告）日：1992-03-31

  7-Oxabicycloheptane substituted prostaglandin analogs useful in treating thrombotic and vasopastic disease have the structural formula ##STR1## wherein m is 1, 2 or 3; n is 1, 2, 3 or 4; Z is --(CH.sub.2).sub.2 --, --CH.dbd.CH-- or ##STR2## wherein Y is O, a single bond or vinyl, with the proviso that when n is 0, if Z is ##STR3## then Y cannot be O, and Z is --CH.dbd.CH--, n is 1, 2, 3 or 4; and when Y=vinyl, n=0; R is CO.sub.2 H, CO.sub.2 lower alkyl, CH.sub.2 OH, CO.sub.2 alkali metal, CONHSOR.sup.3, CONHR.sup.3a or --CH.sub.2 --5-tetrazolyl, X is O, S or NH; and where R.sup.1, R.sup.2, R.sup.3 and R.sup.3a are as defined herein.

  7-氧杂双环庚烷取代前列腺素类似物在治疗血栓性和血管痉挛性疾病中有用，其结构式为##STR1##其中m为1、2或3；n为1、2、3或4；Z为--(CH.sub.2).sub.2 --、--CH.dbd.CH--或##STR2##其中Y为O、单键或乙烯基，但当n为0时，若Z为##STR3##则Y不能为O，Z为--CH.dbd.CH--，n为1、2、3或4；当Y=乙烯基时，n=0；R为CO.sub.2 H、CO.sub.2 较低烷基、CH.sub.2 OH、CO.sub.2 碱金属、CONHSOR.sup.3、CONHR.sup.3a或--CH.sub.2 --5-四唑基，X为O、S或NH；R.sup.1、R.sup.2、R.sup.3和R.sup.3a的定义如本文所述。
• Regio- and Stereoselective Ring Opening of ω-Alkenyllactones Using Organocopper Reagents
  作者：Masatoshi Kawashima、Toshio Sato、Tamotsu Fujisawa

  DOI：10.1246/bcsj.61.3255

  日期：1988.9

  by the regio- and stereoselective ring opening of β, γ, and δ-lactones with unsaturated substituents at the ω-position using organocopper reagents such as halomagnesium diorganocuprates or Grignard reagents in the presence of copper(I) iodide. Both the organocopper reagents with primary, secondary, tertiary alkyl, and phenyl groups gave the corresponding carbon homologated alkenoic acids in good yields

  描述了通过 β、γ 和 δ-内酯的区域和立体选择性开环来制备 (E)-3-、(E)-4- 和 (E)-5- 烯酸的新合成方法在碘化铜 (I) 存在下，使用有机铜试剂如卤化二有机铜酸盐或格氏试剂在 ω 位去除不饱和取代基。具有伯、仲、叔烷基和苯基的有机铜试剂均以良好的产率得到相应的碳同系链烯酸。通过 ω-烯基内酯与二乙烯基-和二烯丙基铜酸盐的反应，也以良好的产率获得链二烯酸。利用β-异丙烯基-β-丙内酯的开环，很容易以良好的收率获得高萜类羧酸。
• NEW SYNTHETIC METHOD OF (Z)-4-ALKENOIC ACIDS USING RING-OPENING REACTION OF (Z)-4-HEXENOLIDE WITH ORGANOCOPPER REAGENT
  作者：Tamotsu Fujisawa、Kazuto Umezu、Masatoshi Kawashima

  DOI：10.1246/cl.1984.1795

  日期：1984.10.5

  (Z)-4-Hexenolide reacted regioselectively with diorganocuprates to give (Z)-4-alkenoic acids in high yields. Synthetic utility was demonstrated by the convenient synthesis of cis-jasmone.

  (Z)-4-己烯内酯与二有机铜酸盐发生区域选择性反应，以高产率得到 (Z)-4-链烯酸。顺式茉莉酮的方便合成证明了合成效用。
• 7-Oxabicycloheptyl substituted heterocyclic amide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease
  申请人：E.R. SQUIBB & SONS, INC.

  公开号：EP0374952A2

  公开（公告）日：1990-06-27

  7-Oxabicycloheptane substituted prostaglandin analogs which are thromboxane A2 (TxA2) receptor antagonists or combined thromboxane A2 receptor antagonists/thromboxane synthase inhibitors useful, for example, in treating thrombotic and vasospastic disease have the structural formula wherein m is 1, 2 or 3; n is 0, 1, 2, 3 or 4; Z is -(CH2)2- or -CH=CH-, with the proviso when Z is -CH = CH-, n is 1, 2, 3 or 4; R is C02H, CO2lower alkyl, CH2OH, CO2alkali metal, CONHSOR3, CONHR3a or -CH2-5-tetrazolyl, X is 0, S or NH; and where R1, R2, R3 and R3a are as defined herein.

  7-氧杂双环庚烷取代的前列腺素类似物是血栓素 A2（TxA2）受体拮抗剂或血栓素 A2 受体拮抗剂/血栓素合成酶联合抑制剂，可用于治疗血栓性疾病和血管痉挛性疾病等，其结构式为 其中 m 是 1、2 或 3；n 是 0、1、2、3 或 4；Z 是-(CH2)2- 或-CH=CH-，但当 Z 是-CH=CH-时，n 是 1、2、3 或 4；R 是 C02H、CO2lower 烷基、CH2OH、CO2 碱金属、CONHSOR3、CONHR3a 或-CH2-5-四唑基，X 是 0、S 或 NH；其中 R1、R2、R3 和 R3a 如本文所定义。
• Interphenylène 7-oxabicycloheptyl substituted heterocyclic amide prostaglandin analogs useful in the treatment of thrombotic and vasopastic disease
  申请人：E.R. SQUIBB & SONS, INC.

  公开号：EP0391652A1

  公开（公告）日：1990-10-10

  Interphenylene 7-oxabicycloheptane substituted prostaglandin analogs are provided which are useful in treating thrombotic and vasospastic disease and have the structural formula wherein m is 1, 2 or 3; n is 0, 1, 2, 3 or 4; Y is O, vinyl or a single bond, with the proviso that when n is 0, Y is a single bond; R is CO₂H, CO₂alkali metal, CO₂lower alkyl, CH₂OH, CONHSO₂R³, CONHR3a or 5-tetrazolyl, with the proviso that when R is 5-tetrazolyl, n is other than 0; X is O, S or NH; R¹ is hydrogen, lower alkyl, lower alkenyl, lower alkynyl, aryl, aralkyl, cycloalkyl, cyclo­alkylalkyl, saturated heterocycle, saturated heterocyclicalkyl, aromatic heterocycle, aromatic heterocyclicalkyl or amido; each optionally substituted with an alkyl, aryl, cycloalkyl, or cycloalkylalkyl; and R² is hydrogen, lower alkyl, aryl, or aralkyl, or R¹ and R² together with the N to which they are linked form a 5- to 8- membered ring; R³ is lower alkyl, aryl or aralkyl and R3a is hydrogen, lower alkyl, aroyl or aralkyl.

  提供了可用于治疗血栓性和血管痉挛性疾病的间苯 7-氧杂双环庚烷取代的前列腺素类似物，其结构式为 其中 m为1、2或3 n 是 0、1、2、3 或 4； Y 是 O、乙烯基或单键，但当 n 为 0 时，Y 是单键； R 是 CO₂H、CO₂碱金属、CO₂低级烷基、CH₂OH、CONHSO₂R³、CONHR3a 或 5-四唑基，但当 R 是 5-四唑基时，n 不是 0； X 是 O、S 或 NH； R¹ 是氢、低级烷基、低级烯基、低级炔基、芳基、芳烷基、环烷基、环烷基烷基、饱和杂环基、饱和杂环烷基、芳香杂环基、芳香杂环烷基或氨基；每个基团可任选被烷基、芳基、环烷基或环烷基烷基取代；以及 R² 是氢、低级烷基、芳基或芳烷基，或 R¹ 和 R² 与它们连接的 N 一起形成一个 5 至 8 个成员的环； R³ 是低级烷基、芳基或芳烷基，R3a 是氢、低级烷基、芳基或芳烷基。