3-Chlor-2-hexensaeure-aethylester | 52804-12-3

• 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: 3-Chlor-2-hexensaeure-aethylester
• 英文别名: 3-Chloro-2-hexenoic acid ethyl ester；ethyl 3-chlorohex-2-enoate
• CAS: 52804-12-3
• 化学式: C₈H₁₃ClO₂
• 分子量: 176.643
• InChiKey: PGXYJYHNVBBBIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  丁酰乙酸乙酯 在 五氯化磷 作用下， 生成 3-Chlor-2-hexensaeure-aethylester
  参考文献：
  名称：

  Synthesis of functionalized 2-alkoxybenzoates, 2-aryloxybenzoates and xanthones based on formal [3+3] cyclocondensations of 3-alkoxy- and 3-aryloxy-1-silyloxy-1,3-butadienes with 3-silyloxy-2-en-1-ones

  摘要：

  Functionalized 2-alkoxy- and 2-aryloxybenzoates were prepared by formal [3+3] cyclocondensations of 3-alkoxy- and 3-aryloxy-1-silyloxy-1,3-butadienes with 3-silyloxy-2-en-1-ones. The reaction of 2-aryloxybenzoates with concentrated sulfuric acid resulted in the formation of xanthones. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.02.052

文献信息

• New aliphatically substituted aryl-chalcogeno-hydrocarbon derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US03933835A1

  公开（公告）日：1976-01-20

  Compounds of the formula I R.sub.1 -- Ph -- X -- alk -- R.sub.2 (I) wherein R.sub.1 is adamantyl, Ph is phenylene which is optionally substituted by amino, nitro, lower alkyl, lower alkoxy, halogen or trifluoromethyl, X is oxy or thio, alk is alkylene with 1 to 20 C atoms or alkenylene with 2 to 20 C atoms and R.sub.2 is free, esterfied or amidised carboxyl, sulpho or sulphonamido and therapeutically acceptable salts thereof are useful as anti-allergic and hypolipidaemic agents.

  化合物的公式I R.sub.1 -- Ph -- X -- alk -- R.sub.2 (I)，其中R.sub.1是金刚烷基，Ph是苯基，可以选用氨基，硝基，低烷基，低烷氧基，卤素或三氟甲基进行取代，X是氧或硫，alk是具有1到20个碳原子的烷基或2到20个碳原子的烯基烷基，R.sub.2是自由的，酯化的或酰胺化的羧基，磺酸或磺酰胺基，以及其治疗上可接受的盐，可用作抗过敏和降脂剂。
• Adamantyl-phenylthioalkane derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04000144A1

  公开（公告）日：1976-12-28

  Compounds of the formula I r.sub.1 - ph - X - alk - R.sub.2 (I) wherein R.sub.1 is adamantyl, Ph is phenylene which is optionally substituted by amino, nitro, lower alkyl, lower alkoxy, halogen or trifluoromethyl, X is oxy or thio, alk is alkylene with 1 to 20 C atoms or alkenylene with 2 to 20 C atoms and R.sub.2 is free, esterified or amidised carboxyl, sulpho or sulphonamido and therapeutically acceptable salts thereof are useful as anti-allergic and hypolipidaemic agents.

  化合物的公式为Ir.sub.1-ph-X-alk-R.sub.2（I），其中R.sub.1是金刚烷基，Ph是苯基，可以被氨基，硝基，低碳基，低碳氧基，卤素或三氟甲基取代，X是氧或硫，alk是具有1到20个碳原子的烷基或具有2到20个碳原子的烯基烷基，而R.sub.2是自由的，酯化的或酰胺化的羧基，磺酸基或磺酰胺基，其治疗上可接受的盐可用作抗过敏和降脂剂。
• Adamantyl-phenoxy- and phenylthio-alkyl-alkanoyl esters
  申请人：Ciba-Geigy Corporation

  公开号：US04000183A1

  公开（公告）日：1976-12-28

  Compounds of the formula I r.sub.1 -- ph -- X -- alk -- R.sub.2 (I) wherein R.sub.1 is adamantyl, Ph is phenylene which is optionally substituted by amino, nitro, lower alkyl, lower alkoxy, halogen or trifluoromethyl, X is oxy or thio, alk is alkylene with 1 to 20 C atoms or alkenylene with 2 to 20 C atoms and R.sub.2 is free, esterified or amidised carboxyl, sulpho or sulphonamido and therapeutically acceptable salts thereof are useful as anti-allergic and hypolipidaemic agents.

  公式为I r.sub.1 - ph - X - alk - R.sub.2 (I)的化合物，其中R.sub.1是金刚烷基，Ph是苯基，可以通过氨基，硝基，较低烷基，较低烷氧基，卤素或三氟甲基进行取代，X是氧或硫，alk是具有1至20个碳原子的烷基或具有2至20个碳原子的烯基烷基，R.sub.2是自由的，酯化或酰胺化的羧基，磺酸或磺酰胺基，以及其治疗上可接受的盐，可用作抗过敏和降脂剂。
• Adamantyl phenoxy alkylamides
  申请人：Ciba-Geigy Corporation

  公开号：US04013719A1

  公开（公告）日：1977-03-22

  Compounds of the formula I r.sub.1 -- ph -- X -- alk -- R.sub.2 (I) wherein R.sub.1 is adamantyl, Ph is phenylene which is optionally substituted by, nitro, lower alkyl, lower alkoxy, halogen or trifluoromethyl, X is oxy or thio, alk is alkylene with 1 to 20 C atoms or alkenylene with 2 to 20 C atoms and R.sub.2 is free, esterified or amidised carboxyl, sulpho or sulphonamido and therapeutically acceptable salts thereof are useful as anti-allergic and hypolipidaemic agents.

  公式I r.sub.1 -- ph -- X -- alk -- R.sub.2 (I)的化合物中，R.sub.1是金刚烷基，Ph是苯基，可以选用硝基、低碳基、低碳氧基、卤素或三氟甲基进行取代，X是氧或硫，alk是具有1至20个碳原子的烷基或具有2至20个碳原子的烯基烷基，R.sub.2是自由的、酯化的或酰胺化的羧基、磺酸或磺酰胺基，以及其治疗上可接受的盐，可用作抗过敏和降脂药物。
• Aliphatically substituted aryl-chalcoge-no-hydrocarbon derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04035413A1

  公开（公告）日：1977-07-12

  Compounds of the formula I r.sub.1 -- ph -- X -- alk -- R.sub.2 (I) wherein R.sub.1 is adamantyl, Ph is phenylene which is optionally substituted by amino, nitro, lower alkyl, lower alkoxy, halogen or trifluoromethyl, X is oxy or thio, alk is alkylene with 1 to 20 C atoms or alkenylene with 2 to 20 C atoms and R.sub.2 is free, esterified or amidized carboxyl, sulpho or sulphonamido and therapeutically acceptable salts thereof are useful as anti-allergic and hypolipidaemic agents.

  化合物I的公式为r.sub.1 -- ph -- X -- alk -- R.sub.2 (I)，其中R.sub.1为金刚烷基，Ph为苯基，可选地被氨基，硝基，低碳基，低碳氧基，卤素或三氟甲基取代，X为氧或硫，alk为具有1至20个碳原子的烷基或具有2至20个碳原子的烯基烷基，R.sub.2为自由的，酯化的或酰胺化的羧基，磺酸基或磺酰胺基及其治疗上可接受的盐，可用作抗过敏和降脂药物。