methyl (5RS) 2-methoxy-5-hydroxymethyl-1-cyclopentene-carboxylate | 64244-59-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl (5RS) 2-methoxy-5-hydroxymethyl-1-cyclopentene-carboxylate
• 英文别名: methyl (5RS) 2-methoxy-5-hydroxymethyl-1-cyclopentenecarboxylate；methyl 5-(hydroxymethyl)-2-methoxycyclopentene-1-carboxylate
• CAS: 64244-59-3
• 化学式: C₉H₁₄O₄
• 分子量: 186.208
• InChiKey: UEAFRDDPFPBNHA-UHFFFAOYSA-N

物化性质

• 沸点：
  322.5±42.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl (5RS) 2-methoxy-5-hydroxymethyl-1-cyclopentene-carboxylate 生成 methyl (5RS) 2-methoxy-5-formyl-1-cyclopentene-carboxylate
  参考文献：
  名称：

  BUENDIA, J.;VIVAT, M.;TALIANI, L.

  摘要：

  DOI：

文献信息

• .beta.-Lactones of 2-hydroxy-cyclopentanecarboxylic acid
  申请人：Roussel Uclaf

  公开号：US04221809A1

  公开（公告）日：1980-09-09

  Novel lactones of the formula ##STR1## wherein the dotted line indicates the optional presence of a second bond, A is a single bond or --CH.sub.2 --CH.sub.2 --, R is selected from the group consisting of hydrogen, alkyl of 1 to 4 carbon atoms and alkenyl and alkynyl of 2 to 4 carbon atoms, R.sub.6 is --OR'.sub.A, R'.sub.A is selected from the group consisting of hydrogen, tetrahydropyranyl, alkyl of 1 to 3 carbon atoms and ##STR2## R".sub.A is selected from the group consisting of alkyl of 1 to 3 carbon atoms optionally substituted with carboxyl and phenyl optionally substituted with a member of the group consisting of carboxyl, free hydroxyl, hydroxyl protected with an acyl of 2 to 4 carbon atoms and hydroxyl protected with an easily hydrolyzable group and R and R.sub.6 together form a keto group, R.sub.7 is --(CH.sub.2)m.sub.A --CH.sub.3, m.sub.A is 3,4,5 or 6 and R.sub.6 and R.sub.7 taken together form .dbd. CH--(CH.sub.2)n.sub. A --CH.sub.3 n.sub.A is 2,3,4 or 5 and the wavy lines indicate that the bonds are in one or the other of the possible configurations and when A is a simple bond, the bond between the cyclopentane ring and the oxygen is in the .alpha.-position having hypotensive activity and novel processes and intermediates for their preparation.

  分子式为##STR1##的新型内酯，其中虚线表示可选的第二个键，A为单键或--CH.sub.2 --CH.sub.2 --，R选自氢、1至4个碳原子的烷基、2至4个碳原子的烯基和炔基，R.sub.6为--OR'.sub.A，R'.sub.A选自氢、四氢呋喃基、1至3个碳原子的烷基和##STR2##，R".sub.A选自1至3个碳原子的烷基，可选地被羧基取代，和苯基，可选地被羧基、自由羟基、2至4个碳原子的酰基保护的羟基和易水解基团保护的羟基中的一种取代，R和R.sub.6一起形成一个酮基，R.sub.7为--(CH.sub.2)m.sub.A --CH.sub.3，m.sub.A为3、4、5或6，R.sub.6和R.sub.7一起形成.dbd. CH--(CH.sub.2)n.sub. A --CH.sub.3，n.sub.A为2、3、4或5，波浪线表示键在可能的构型中的一种，当A为简单键时，环戊烷环和氧之间的键处于.alpha.-位置，具有降压活性，以及它们的制备新工艺和中间体。
• Novel lactones of cyclopentanols
  申请人：Roussel Uclaf

  公开号：US04279919A1

  公开（公告）日：1981-07-21

  Novel lactones of the formula ##STR1## wherein the dotted line indicates the optional presence of a second bond, A is a single bond or --CH.sub.2 --CH.sub.2 --, R is selected from the group consisting of hydrogen, alkyl of 1 to 4 carbon atoms and alkenyl and alkynyl of 2 to 4 carbon atoms, R.sub.6 is --OR.sub.A ', R.sub.A ' is selected from the group consisting of hydrogen, tetrahydropyranyl, alkyl of 1 to 3 carbon atoms and ##STR2## R.sub.A " is selected from the group consisting of alkyl of 1 to 3 carbon atoms optionally substituted with carboxyl and phenyl optionally substituted with a member of the group consisting of carboxyl, free hydroxyl, hydroxyl protected with an acyl of 2 to 4 carbon atoms and hydroxyl protected with an easily hydrolyzable group and R and R.sub.6 together form a keto group, R.sub.7 is --CH.sub.2).sub.m.sbsb.A --CH.sub.3, m.sub.A is 3,4,5 or 6 and R.sub.6 and R.sub.7 taken together form .dbd.CH--(CH.sub.2).sub.n.sbsb.A --CH.sub.3, n.sub.A is 2,3,4 or 5 and the wavy lines indicate that the bonds are in one or the other of the possible configurations and when A is a simple bond, the bond between the cyclopentane ring and the oxygen is in the .alpha.-position having hypotensive activity and the wavy lines represent a paired configuration selected from the group consisting of .alpha.,.beta. and .beta.,.alpha. and mixtures thereof and novel processes and intermediates for their preparation.

  分子式为##STR1##的新型内酯，其中虚线表示第二键的可选存在，A为单键或--CH.sub.2 --CH.sub.2 --，R选自氢、1至4个碳原子的烷基和2至4个碳原子的烯基和炔基，R.sub.6为--OR.sub.A '，R.sub.A '选自氢、四氢吡喃基、1至3个碳原子的烷基和##STR2##，R.sub.A "选自1至3个碳原子的烷基，可选地被羧基取代和苯基，可选地被羧基、游离羟基、用2至4个碳原子的酰基保护的羟基和用易水解基团保护的羟基取代的成员组成，R和R.sub.6共同形成酮基，R.sub.7为--CH.sub.2).sub.m.sbsb.A --CH.sub.3，m.sub.A为3、4、5或6，R.sub.6和R.sub.7共同形成.dbd.CH--(CH.sub.2).sub.n.sbsb.A --CH.sub.3，n.sub.A为2、3、4或5，波浪线表示键在可能的构型之一或另一构型中，当A为简单键时，环戊烷环与氧之间的键在α-位置具有降压活性，波浪线表示从α、β和β、α和其混合物中选择的成对构型，并提供其制备的新型过程和中间体。
• Novel cyclopentanones
  申请人：Roussel Uclaf

  公开号：US04097494A1

  公开（公告）日：1978-06-27

  Novel cyclopentanones of the formula ##STR1## wherein AlK is alkyl of 1 to 4 carbon atoms, R is selected from the group of hydrogen and .alpha.-tetrahydropyranyl and the Ys are hydrogen or together represent a double bond with the proviso that when R is hydrogen, the Ys are hydrogen as well as products of the formula ##STR2## wherein AlK is alkyl of 1 to 4 carbon atoms and products of the formula ##STR3## wherein R and AlK have the above definitions which are useful intermediates in the production of prostaglandins.

  公式为##STR1##的新型环戊酮，其中AlK是1至4个碳原子的烷基，R选择自氢和α-四氢吡喃基团，Y为氢或一起表示双键，但当R为氢时，Y也为氢，以及公式##STR2##的产物，其中AlK是1至4个碳原子的烷基，以及公式##STR3##的产物，其中R和AlK具有上述定义，这些产物是合成前列腺素的有用中间体。