methyl 3-oxo-dodecanoate ethylene acetal | 663883-62-3

• 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: methyl 3-oxo-dodecanoate ethylene acetal
• 英文别名: 3,3-ethyleneglycosyl dodecanoic acid ethyl ester；ethyl 3,3-ethylene glycosyl dodecanoate；Ethyl 3,3-ethylenedioxydodecanoate；ethyl 2-(2-nonyl-1,3-dioxolan-2-yl)acetate
• CAS: 663883-62-3
• 化学式: C₁₆H₃₀O₄
• 分子量: 286.412
• InChiKey: SFLLQBCWHIGSEH-UHFFFAOYSA-N

物化性质

• 沸点：
  350.6±17.0 °C(Predicted)
• 密度：
  0.966±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  20
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 3-oxo-dodecanoate ethylene acetal 在 lithium hydroxide monohydrate 、 水 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 12.0h， 生成 2-(2-nonyl-1,3-dioxolan-2-yl)acetic acid
  参考文献：
  名称：

  AMIDE COMPOUND AND BACTERIAL DISEASE CONTROL AGENT FOR AGRICULTURAL AND HORTICULTURAL USE

  摘要：

  本发明提供一种具有抗菌活性的酰胺化合物，以及一种用于农业和园艺的细菌感染控制剂，其含有该酰胺化合物。本发明的新型酰胺化合物由通式（1）表示：其中R是一个-CH(R1)(R2)或一个-CO(R2)基团，R1是一个氢原子或一个羟基，R2是一个C1-12烷基基团。

  公开号：

  EP2221293A1
• 作为产物：
  描述：

  癸酰氯 在 对甲苯磺酸 三乙胺 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 20.0h， 生成 methyl 3-oxo-dodecanoate ethylene acetal
  参考文献：
  名称：

  EP2077109

  摘要：

  公开号：

文献信息

• Synthesis of phenols by the intramolecular condensation of β, β' ,δ ,δ'-tetraoxoalkanedioates a novel BF3 -promoted claisen condensation of
  作者：Masahiko Yamaguchi、Keisuke Shibato、Hisataka Nakashima、Toru Minami

  DOI：10.1016/s0040-4020(01)86179-2

  日期：1988.1

  The aromatization process of β, β', δ , δ'-tetraoxoalkanedioates, which were synthesized by the BF3-promoted Claisen condensation, was examined.

  考察了由BF 3促进的克莱森缩合反应合成的β，β'，δ，δ'-四氧代链烷二酸酯的芳构化过程。
• Combinatorial libraries of autoinducer analogs, autoinducer agonists and antagonists, and methods of use thereof
  申请人：——

  公开号：US20040115732A1

  公开（公告）日：2004-06-17

  The present invention relates to solid phase or solution phase combinatorial libraries of autoinducer analogs. The present invention also relates to autoinducer agonists and antagonists. In addition, the present invention relates to methods for identifying autoinducer agonists and antagonists, as well as methods for regulating the activity of an autoinducer receptor, regulating biofilm formation, regulating growth or virulence of an organism in a subject, inhibiting the quorum sensing mechanism of an organism, and treating an infection in a subject caused by an organism possessing a quorum sensing mechanism which use the autoinducer analogs of the present invention.

  本发明涉及自感应剂类似物的固相或溶液相组合库。本发明还涉及自感应剂和拮抗剂。此外，本发明还涉及识别自感应剂和拮抗剂的方法，以及调节自感应受体的活性、调节生物膜形成、调节生物体在主体中的生长或毒力、抑制生物体的群体感应机制，并使用本发明的自感应剂类似物治疗由具有群体感应机制的生物体引起的主体感染。
• COMBINATORIAL LIBRARIES OF AUTOINDUCER ANALOGS, AUTOINDUCER AGONISTS AND ANTAGONISTS, AND METHODS OF USE THEREOF
  申请人：SUGA Hiroaki

  公开号：US20080027115A1

  公开（公告）日：2008-01-31

  The present invention relates to solid phase or solution phase combinatorial libraries of autoinducer analogs. The present invention also relates to autoinducer agonists and antagonists. In addition, the present invention relates to methods for identifying autoinducer agonists and antagonists, as well as methods for regulating the activity of an autoinducer receptor, regulating biofilm formation, regulating growth or virulence of an organism in a subject, inhibiting the quorum sensing mechanism of an organism, and treating an infection in a subject caused by an organism possessing a quorum sensing mechanism which use the autoinducer analogs of the present invention.

  本发明涉及自感应物类似物的固相或溶液相组合库。本发明还涉及自感应物激动剂和拮抗剂。此外，本发明还涉及识别自感应物激动剂和拮抗剂的方法，以及调节自感应物受体活性、调节生物膜形成、调节在受体中生物体的生长或毒力、抑制生物体的群体感应机制、以及使用本发明的自感应物类似物治疗由具有群体感应机制的生物体引起的受体感染的方法。
• AMIDE COMPOUND, SALT THEREOF, AND BIOFILM REMOVER USING THEM
  申请人：The University of Tokyo

  公开号：EP2077109A1

  公开（公告）日：2009-07-08

  The present invention provides a biofilm stripping agent for removing biofilms already formed. The biofilm stripping agent of the present invention contains, as an active ingredient, an amide compound or salt thereof denoted by General Formula (1), wherein R is a C1-11 alkyl group, and Q is a substituent denoted by the following Formulas (Q1), (Q2) or (Q3), wherein, in Formula (Q1), n is an integer ranging from 0 to 4; in Formula (Q2), R1 is a C1-4 alkyl group, and R2 is a hydroxyl group or carbamoyl group; in Formula (Q3), R3 is a hydrogen atom, hydroxyl group or carbamoyl group.

  本发明提供一种生物膜剥离剂，用于去除已经形成的生物膜。本发明的生物膜剥离剂含有通式（1）表示的酰胺化合物或其盐作为活性成分、 其中 R 是 C1-11 烷基，Q 是由下式（Q1）、（Q2）或（Q3）表示的取代基、 其中，在式 (Q1) 中，n 是 0 至 4 的整数；在式 (Q2) 中，R1 是 C1-4 烷基，R2 是羟基或氨基甲酰基；在式 (Q3) 中，R3 是氢原子、羟基或氨基甲酰基。
• AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM REMOVER CONTAINING THE SAME
  申请人：SUGA Hiroaki

  公开号：US20080241081A1

  公开（公告）日：2008-10-02

  The present invention provides a biofilm stripping agent for removing biofilms already formed. The biofilm stripping agent of the present invention contains, as an active ingredient, an amide compound or salt thereof denoted by General Formula (1), wherein R is a C 1-11 alkyl group, and Q is a substituent denoted by the following Formulas (Q1), (Q2) or (Q3), wherein, in Formula (Q1), n is an integer ranging from 0 to 4; in Formula (Q2), R 1 is a C 1-4 alkyl group, and R 2 is a hydroxyl group or carbamoyl group; in Formula (Q3), R 3 is a hydrogen atom, hydroxyl group or carbamoyl group.