1-(2-甲基丙-1-烯基)螺[2.4]庚烷-2-羧酸 | 62597-12-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 1-(2-甲基丙-1-烯基)螺[2.4]庚烷-2-羧酸
• 英文名称: 2-(1'-isobutenyl)-spiro-[2,4]-heptane-1-carboxylic acid
• 英文别名: 2-(2-Methylprop-1-en-1-yl)spiro[2.4]heptane-1-carboxylic acid；1-(2-methylprop-1-enyl)spiro[2.4]heptane-2-carboxylic acid
• CAS: 62597-12-0
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.274
• InChiKey: XBKMMVTVGXFATF-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：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 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-亚环戊基乙酸乙酯 生成 1-(2-甲基丙-1-烯基)螺[2.4]庚烷-2-羧酸 、 ethyl 2-(1'-isobutenyl)-spiro[2,4]-heptane-1-carboxylate
  参考文献：
  名称：

  Cyclopropanecarboxylic acids and esters

  摘要：

  新型环丙烷羧酸及其酯类化合物，其通式为##STR1##其中Z1和Z2选自氢、烷基、芳烷基、芳基、非共轭于环丙烷环的烯基、非共轭于环丙烷环的烯基、环烷基、环烯基和杂环；R选自OH和OR'，其中R'选自可能被取代的低级烷基、可能被取代在苯基或亚甲基部分的苄基、N-亚甲基二羧亚胺、(5-苄基-呋喃-3)甲基，以及通式为##STR2##的环戊烯，其中R"选自烷基、炔基、烯基、芳基、芳烷基、环烷基、环烯基和杂环；A为选自以下结构的二价烷基基团：##STR3##其中R1选自氢和低级烷基，R2和R3选自烷基、炔基、烯基、芳基、芳烷基、环烷基、环烯基和杂环，并与它们所连接的碳原子一起形成选自3至7个碳原子的碳同环和非饱和碳同环以及可能被低级烷基或低级烷氧基取代的杂环环，R2和R3可以一起形成多环芳香族基团，R4为低级烷基，R5选自氢和低级烷基，且R4和R5与它们所连接的碳原子一起可以形成饱和或非饱和碳同环或杂环环，Y选自亚甲基和饱和或非饱和碳链，Y'选自甲川基和饱和或非饱和碳链，但当Z1和Z2为甲基且R1为氢时，R2不得为甲基，以及它们的制备方法。

  公开号：

  US03997586A1

文献信息

• US3997586A
  申请人：——

  公开号：US3997586A

  公开（公告）日：1976-12-14
• US4101574A
  申请人：——

  公开号：US4101574A

  公开（公告）日：1978-07-18
• US4206140A
  申请人：——

  公开号：US4206140A

  公开（公告）日：1980-06-03
• Cyclopropanecarboxylic acids and esters
  申请人：Roussel-UCLAF

  公开号：US03997586A1

  公开（公告）日：1976-12-14

  Novel cyclopropanecarboxylic acids and esters of the formula ##STR1## wherein Z.sub.1 and Z.sub.2 are selected from the group consisting of hydrogen, alkyl, aralkyl, aryl, alkenyl non-conjugated with the cyclopropane ring, alkenyl non-conjugated with the cyclopropane ring, cycloalkyl, cycloalkenyl and heterocyclic; R is selected from the group consisting of OH and OR' in which R' is selected from the group consisting of lower alkyl which may be substituted, benzyl which may be substituted on the phenyl or methylene portion, N-methylene-dicarboximide, (5-benzyl-furyl-3) methyl, and a cyclopentene of the formula ##STR2## WHEREIN R" is selected from the group consisting of alkyl, alkynyl, alkenyl, aryl, aralkyl, cycloalkyl, cycloalkenyl and heterocyclic; A is a bivalent alkyl radical selected from the group consisting of ##STR3## WHEREIN R.sub.1 is selected from the group consisting of hydrogen and lower alkyl, R.sub.2 and R.sub.3 are selected from the group consisting of alkyl, alkynyl, alkenyl, aryl, aralkyl, cycloalkyl, cycloalkenyl and heterocyclic and taken together with the carbon atom to which they are attached form a ring selected from the group consisting of carbon homo rings and unsaturated carbon homo rings of 3 to 7 carbon atoms and heterocyclic rings which may be substituted with lower alkyl or lower alkoxy and R.sub.2 and R.sub.3 may together form a polycyclic aromatic radical, R.sub.4 is lower alkyl, R.sub.5 is selected from the group consisting of hydrogen and lower alkyl and R.sub.4 and R.sub.5 together with the carbon atoms to which they are attached may form a saturated or unsaturated carbon homo ring or a heterocyclic ring, Y is selected from the group consisting of methylene and a saturated or unsaturated carbon chain and Y' is selected from the group consisting of methine and a saturated or unsaturated carbon chain with the proviso that when Z.sub.1 and Z.sub.2 are methyl and R.sub.1 is hydrogen, R.sub.2 is other than methyl and their preparation.

  新型环丙烷羧酸及其酯类化合物，其通式为##STR1##其中Z1和Z2选自氢、烷基、芳烷基、芳基、非共轭于环丙烷环的烯基、非共轭于环丙烷环的烯基、环烷基、环烯基和杂环；R选自OH和OR'，其中R'选自可能被取代的低级烷基、可能被取代在苯基或亚甲基部分的苄基、N-亚甲基二羧亚胺、(5-苄基-呋喃-3)甲基，以及通式为##STR2##的环戊烯，其中R"选自烷基、炔基、烯基、芳基、芳烷基、环烷基、环烯基和杂环；A为选自以下结构的二价烷基基团：##STR3##其中R1选自氢和低级烷基，R2和R3选自烷基、炔基、烯基、芳基、芳烷基、环烷基、环烯基和杂环，并与它们所连接的碳原子一起形成选自3至7个碳原子的碳同环和非饱和碳同环以及可能被低级烷基或低级烷氧基取代的杂环环，R2和R3可以一起形成多环芳香族基团，R4为低级烷基，R5选自氢和低级烷基，且R4和R5与它们所连接的碳原子一起可以形成饱和或非饱和碳同环或杂环环，Y选自亚甲基和饱和或非饱和碳链，Y'选自甲川基和饱和或非饱和碳链，但当Z1和Z2为甲基且R1为氢时，R2不得为甲基，以及它们的制备方法。