methyl 6-chloro-5-oxohexanoate | 76700-85-1

• 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: methyl 6-chloro-5-oxohexanoate
• CAS: 76700-85-1
• 化学式: C₇H₁₁ClO₃
• 分子量: 178.616
• InChiKey: KCLLUAVKDGGAGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 6-chloro-5-oxohexanoate 在 platinum(IV) oxide 、 palladium on activated charcoal 硼烷四氢呋喃络合物 、 氢溴酸 、 氢气 、 potassium carbonate 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 20.0h， 生成 (R)-2-哌啶甲醇
  参考文献：
  名称：

  通过手性吗啉酮的对映体纯1,2-氨基醇的一般合成

  摘要：

  由d-苯基甘氨酸经环亚胺7b - i（或烯胺7a）制得11种旋光的1,2-氨基醇20a - i和26b - c。该策略的关键步骤是非对映选择性还原手性恶嗪酮7a - i。

  DOI：

  10.1016/s0040-4020(99)00935-7
• 作为产物：
  描述：

  5-氧代己酸 在 氯化亚砜 、 磺酰氯 作用下， 以 四氯化碳 为溶剂， 反应 14.0h， 生成 methyl 6-chloro-5-oxohexanoate
  参考文献：
  名称：

  Griesbaum, Karl; Greinert, Reinhard, Chemische Berichte, 1990, vol. 123, # 2, p. 391 - 397

  摘要：

  DOI：

文献信息

• INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE DERIVATIVES
  申请人：Melander Christian

  公开号：US20080181923A1

  公开（公告）日：2008-07-31

  Disclosure is provided for imidazole derivative compounds that prevent, remove and/or inhibit the formation of biofilms, compositions comprising these compounds, devices comprising these compounds, and methods of using the same.

  提供了关于咪唑衍生物化合物的披露，这些化合物可以预防、去除和/或抑制生物膜的形成，包括这些化合物的组合物、包含这些化合物的设备，以及使用它们的方法。
• INHIBITION OF BIOFILMS IN PLANTS WITH IMIDAZOLE DERIVATIVES
  申请人：Melander Christian

  公开号：US20090143230A1

  公开（公告）日：2009-06-04

  Disclosure is provided for methods of preventing, removing or inhibiting microbial biofilm formation or microbial infection in a plant or plant part thereof, including applying thereto a treatment effective amount of an active compound as described herein, or an agriculturally acceptable salt thereof. Methods of enhancing a microbicide (e.g., including a copper, antibiotic, bacteriophage, etc.) and/or plant defense activator are also provided, including applying an active compound as described herein. Compositions comprising an active compound as described herein in an agriculturally acceptable carrier are also provided, and in some embodiments the compositions further include a microbicide (e.g., including copper, antibiotic, bacteriophage, etc.) and/or plant defense activator.

  本公开提供了一种防止、去除或抑制植物或其部分中微生物生物膜形成或微生物感染的方法，包括向其施加本文所述的活性化合物的有效量或其农业可接受的盐。还提供了增强微生物杀灭剂（例如，包括铜、抗生素、噬菌体等）和/或植物防御激活剂的方法，包括施加本文所述的活性化合物。还提供了包含本文所述的活性化合物在农业可接受载体中的组合物，并在某些实施例中，这些组合物进一步包括微生物杀灭剂（例如，包括铜、抗生素、噬菌体等）和/或植物防御激活剂。
• Haloalkylguanidine compounds, pharmaceutical compositions and methods,
  申请人：Imperial Chemical Industries PLC

  公开号：US04447441A1

  公开（公告）日：1984-05-08

  The invention relates to guanidine derivatives which are histamine H-2 antagonists and which inhibit gastric acid secretion. According to the invention there is provided a guanidine derivative of the formula I:- ##STR1## in which R.sup.1 and R.sup.2, same or different, are hydrogen or 1-10C alkyl, 3-8C cycloalkyl or 4-14C cycloalkylalkyl, each alkyl, cycloalkyl or cycloalkylalkyl optionally carrying one or more F, Cl or Br atoms, provided that one of R.sup.1 and R.sup.2 is halogen substituted, or R.sup.2 is hydrogen and R.sup.1 is R.sup.5 --E--W in which W is 2-6C alkylene optionally substituted by 1 or 2 1-4C alkyls, E is O,S or NR.sup.6 in which R.sup.6 is H or 1-6C alkyl, R.sup.5 is H or 1-6C alkyl optionally substituted by 1 or 2 1-4C alkyls, or R.sup.5 and R.sup.6 are joined to form a pyrrolidine, piperidine, morpholine, piperazine or N-methylpiperazine ring; ring X is a heterocyclic ring as defined in the specification; A is phenylene or 5-7C cycloalkylene, or a 1-8C alkylene into which is optionally inserted one or two groups; D is O or S; and R.sup.3 and R.sup.4 are hydrogen or a variety of radicals described in the specification: and the pharmaceutically-acceptable acid-addition salts thereof. Manufacturing processes and pharmaceutical compositions are also described.

  该发明涉及胍基衍生物，它们是组胺H-2拮抗剂，能抑制胃酸分泌。根据该发明，提供了一种符合以下式I的胍基衍生物：- ##STR1## 其中R.sup.1和R.sup.2，相同或不同，是氢或1-10碳原子的烷基，3-8碳原子的环烷基或4-14碳原子的环烷基烷基，每个烷基、环烷基或环烷基烷基可选地携带一个或多个F、Cl或Br原子，前提是R.sup.1和R.sup.2中的一个是卤素取代的，或者R.sup.2是氢而R.sup.1是R.sup.5--E--W，其中W是可选地由1或2个1-4碳原子的烷基取代的2-6碳原子的亚烷基，E是O、S或NR.sup.6，其中R.sup.6是H或1-6碳原子的烷基，R.sup.5是H或1-6碳原子的烷基，可选地由1或2个1-4碳原子的烷基取代，或者R.sup.5和R.sup.6连接形成吡咯烷、哌啶、吗啉、哌嗪或N-甲基哌嗪环；环X是规范中定义的杂环；A是苯基或5-7碳原子的环烷基，或者可选地插入一到两个基团的1-8碳原子的亚烷基；D是O或S；R.sup.3和R.sup.4是氢或规范中描述的各种基团；以及其药用可接受的酸加盐。还描述了制造工艺和药物组合物。
• Total synthesis of a novel isoprostane IPF2α-I and its identification in biological fluids
  作者：Mustafa Adiyaman、John A. Lawson、Seong-Woo Hwang、Subhash P. Khanapure、Garret A. FitzGerald、Joshua Rokach

  DOI：10.1016/0040-4039(96)00973-2

  日期：1996.7

  The first total synthesis of IPF2α-I 25 is described using D-glucose as starting material. This novel isoprostane has been used to establish its presence in human urine.

  以D-葡萄糖为起始原料描述了IPF2α- I 25的第一全合成。该新型异前列腺素已用于确定其在人尿液中的存在。
• Alcohol derivatives
  申请人：Imperial Chemical Industries PLC

  公开号：US04451463A1

  公开（公告）日：1984-05-29

  This invention relates to alcohol derivatives which are histamine H-2 antagonists and which inhibit gastric acid secretion. According to the invention there is provided a guanidine derivative of the formula I: ##STR1## in which R.sup.1 and R.sup.2, same or different, are hydrogen or 1-10C alkyl, 3-8C cycloalkyl or 4-14C cycloalkylalkyl, each alkyl, cycloalkyl or cycloalkylalkyl optionally carrying one or more F, Cl or Br atoms, provided that one of R.sup.1 and R.sup.2 is halogen-substituted, or R.sup.2 is hydrogen and R.sup.1 is R.sup.5 --E--W-- in which W is 2-6C alkylene optionally substituted by 1 or 2 1-4C alkyl, E is O, S, SO, SO.sub.2 or NR.sup.6 in which R.sup.6 is H or 1-6C alkyl, R.sup.5 is H or 1-6C alkyl optionally substituted by 1 or 2 1-4C alkyls, or R.sup.5 and R.sup.6 are joined to form a pyrrolidine, piperidine, morpholine, piperazine or N-methylpiperazine ring, or R.sup.2 is hydrogen and R.sup.1 is hydrogen or 1-10C alkyl, 3-8C cycloalkyl, 4-14C cycloalkylalkyl, 3-6C alkenyl, 3-6C alkynyl, 1-6C alkanoyl, 6-10C aryl, 7-11C arylalkyl or 7-11C aroyl, the aryl, arylalkyl and aroyl radicals being optionally substituted, ring X is a heterocyclic ring as defined in the specification; A is phenylene or 5-7C cycloalkylene or a 1-8C alkylene into which is optionally inserted one or two groups; D is oxygen or sulphur; R.sup.3, R.sup.4 and R.sup.5 are hydrogen or a variety of radicals described in the specification: and the pharmaceutically-acceptable acid-addition salts thereof. Manufacturing processes and pharmaceutical compositions are also described.

  本发明涉及酒精衍生物，它们是组胺H-2拮抗剂并且抑制胃酸分泌。根据本发明，提供了化学式I的胍衍生物：其中R.sup.1和R.sup.2，相同或不同，是氢或1-10C烷基，3-8C环烷基或4-14C环烷基烷基，每个烷基，环烷基或环烷基烷基可选择携带一个或多个F、Cl或Br原子，前提是R.sup.1和R.sup.2中的一个是卤素取代的，或者R.sup.2是氢而R.sup.1是R.sup.5--E--W--，其中W是可选择通过1或2个1-4C烷基取代的2-6C烷基，E是O、S、SO、SO.sub.2或NR.sup.6，其中R.sup.6是H或1-6C烷基，R.sup.5是H或1-6C烷基，可选择通过1或2个1-4C烷基取代，或者R.sup.5和R.sup.6结合形成吡咯烷、哌啶、吗啉、哌嗪或N-甲基哌嗪环，或者R.sup.2是氢而R.sup.1是氢或1-10C烷基，3-8C环烷基，4-14C环烷基烷基，3-6C烯基，3-6C炔基，1-6C醇酰基，6-10C芳基，7-11C芳基烷基或7-11C酰基，芳基、芳基烷基和酰基基团可选择取代，环X是规范中定义的杂环，A是苯基或5-7C环烷基或可选择插入一到两个基团的1-8C烷基，D是氧或硫，R.sup.3、R.sup.4和R.sup.5是氢或规范中描述的多种基团，以及其药用可接受酸盐。同时描述了制造工艺和药用组合物。