2-(4-chlorophenyl)-2-(prop-2-yn-1-yloxy)acetic acid | 655223-09-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-chlorophenyl)-2-(prop-2-yn-1-yloxy)acetic acid
• 英文别名: (4-chloro-phenyl)-prop-2-ynyloxy-acetic acid；2-(2-propynyloxy)-2-(4-chlorophenyl)-acetic acid；2-(4-chlorophenyl)-2-prop-2-ynoxyacetic acid
• CAS: 655223-09-9
• 化学式: C₁₁H₉ClO₃
• 分子量: 224.644
• InChiKey: UODLIGAEPGYRCI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-chlorophenyl)-2-(prop-2-yn-1-yloxy)acetic acid 在 氯化亚砜 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 2-(2-propynyloxy)-2-(4-chlorophenyl)acetyl chloride
  参考文献：
  名称：

  PHENYLPYRIDINE COMPOUND AND BACTERICIDAL COMPOSITION CONTAINING THE SAME

  摘要：

  该式代表的苯基吡啶化合物对植物病害具有优异的控制活性: [其中，在该式中，R1、R2、R3、R4和R5分别代表氢原子、卤原子等; R6代表氢原子或C1-C3烷基; R7、R8和R11分别代表氢原子、卤原子等; R9和R10分别代表羟基等; W1―W2=W3―W4代表N―CH=CH―CH等; X代表氧原子等; Q代表(C1-C6烷氧基)亚甲基等]。

  公开号：

  EP1541557A1
• 作为产物：
  描述：

  (4-chloro-phenyl)-prop-2-ynyloxy-acetic acid methyl ester 在 lithium hydroxide monohydrate 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 以87 %的产率得到2-(4-chlorophenyl)-2-(prop-2-yn-1-yloxy)acetic acid
  参考文献：
  名称：

  Synthesis of Crop Protection Agent Mandipropamid

  摘要：

  DOI：

  10.56042/ijc.v62i9.3120

文献信息

• [EN] N-BISARYL- AND N-ARYL-CYCLOALKYLIDENYL-ALPHA-HYDROXY-AND ALPHA-ALKOXY ACID AMIDES<br/>[FR] AMIDE D'ACIDE N-BISARYL- ET N-ARYL-CYCLOALKYLIDENYL-ALPHA-HYDROXY- ET ALPHA-ALCOXY
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2004011417A1

  公开（公告）日：2004-02-05

  The invention relates to N-bisaryl- and N-aryl-cycloalkylidenyl-a-hydroxy- and a-alkoxy acetic acid amides of the general formula (I) including the optical isomers thereof and mixtures of such isomers, wherein R1 is hydrogen, C1-C12alkyl; C2-C12alkenyl; C2-C12alkynyl; C1-C12haloalkyl; R2 is hydrogen; optionally substituted alkyl; optionally substituted alkenyl or optionally substituted alkynyl; R3 is optionally substituted aryl or optionally substituted heteroaryl; A is an optionally substituted saturated or unsaturated C3-C8-cycloalkylidene, optionally substituted phenylidene or optionally substituted saturated or unsaturated heterocyclylidene bridge, R4 and R5 are each independently hydrogen or an organic radical, and R6 is hydrogen; tri-C1-C4alkyl-silyl; di-C1-C4alkyl-phenylsilyl; C1-C4alkyl-diphenylsilyl; triphenylsilyl; optionally substituted alkyl; optionally substituted alkenyl or optionally substituted alkynyl. The compounds possess plant-protecting properties and are suitable for protecting plants against infestation by phytopathogenic miroorganism, especially fungi.

  该发明涉及一般式（I）的N-双芳基和N-芳基环烷基亚羟基和亚烷氧基乙酸酰胺，包括其光学异构体和这些异构体的混合物，其中R1为氢、C1-C12烷基；C2-C12烯基；C2-C12炔基；C1-C12卤代烷基；R2为氢；可选择地取代的烷基；可选择地取代的烯基或可选择地取代的炔基；R3为可选择地取代的芳基或可选择地取代的杂芳基；A为可选择地取代的饱和或不饱和的C3-C8环烷基亚甲基，可选择地取代的苯亚甲基或可选择地取代的饱和或不饱和的杂环烷基亚甲基桥，R4和R5各自独立地为氢或有机基，R6为氢；三C1-C4烷基硅基；二C1-C4烷基苯基硅基；C1-C4烷基二苯基硅基；三苯基硅基；可选择地取代的烷基；可选择地取代的烯基或可选择地取代的炔基。这些化合物具有植物保护性能，适用于保护植物免受植物病原微生物，特别是真菌的侵害。
• Synthesis and fungicidal activity of new fluorine-containing mandelic acid amide compounds
  作者：Shuai Li、Can Cui、Man-Yi Wang、Shui-Jing Yu、Yan-Xia Shi、Xiao Zhang、Zheng-Ming Li、Wei-Guang Zhao、Bao-Ju Li

  DOI：10.1016/j.jfluchem.2012.02.011

  日期：2012.5

  A series of novel fluorine-containing mandelic acid amide compounds were designed and synthesized by a facile method, and their structures were characterized by 1H nuclear magnetic resonance (NMR) and high-resolution mass spectrometry. The preliminary in vivo bioassays indicated that some of the title compounds showed excellent fungicidal activities in vivo against Pseudoperonospora cubensis at the

  通过简便的方法设计和合成了一系列新型的含氟扁桃酰胺化合物，并通过1 H核磁共振（NMR）和高分辨率质谱对它们的结构进行了表征。初步的体内生物测定表明，部分标题化合物表现出优异的杀真菌活性的体内抗黄瓜霜霉病菌在25毫克的L剂量-1，这是与对照（双炔酰菌）相媲美。
• [EN] PROCESSES FOR THE PREPARATION OF AMIDES<br/>[FR] PROCÉDÉS DE PRÉPARATION D'AMIDES
  申请人：SYNGENTA LTD

  公开号：WO2009138372A1

  公开（公告）日：2009-11-19

  The invention relates to a process for the preparation of intermediates useful in the preparation of fungicidally active phenylpropargylether derivatives. The process involves coupling of carboxylic acid with an amine in (a) the absence of a catalyst; (b) the presence of a boronic acid catalyst.

  这项发明涉及一种用于制备在制备具有杀真菌活性的苯丙炔醚衍生物时有用的中间体的方法。该方法涉及在以下情况下将羧酸与胺偶联：(a) 在无催化剂的情况下；(b) 在硼酸催化剂存在的情况下。
• N-bisaryl- and n-aryl-cylcloakylidenyl-alpha-hydroxy-and alpha-alkoxy acid amides
  申请人：Lamberth Clemens

  公开号：US20050245607A1

  公开（公告）日：2005-11-03

  The invention relates to N-bisaryl- and N-aryl-cycloalkylidenyl-a-hydroxy- and a-alkoxy acetic acid amides of the general formula (I) including the optical isomers thereof and mixtures of such isomers, wherein R 1 is hydrogen, C 1 -C 12 alkyl; C 2 -C 12 alkenyl; C 2 -C 12 alkynyl; C 1 -C 12 haloalkyl; R 2 is hydrogen; optionally substituted alkyl; optionally substituted alkenyl or optionally substituted alkynyl; R 3 is optionally substituted aryl or optionally substituted heteroaryl; A is an optionally substituted saturated or unsaturated C 3 -C 8 -cycloalkylidene, optionally substituted phenylidene or optionally substituted saturated or unsaturated heterocyclylidene bridge, R 4 and R 5 are each independently hydrogen or an organic radical, and R 6 is hydrogen; tri-C 1 -C 4 alkyl-silyl; di-C 1 -C 4 alkyl-phenylsilyl; C 1 -C 4 alkyl-diphenylsilyl; triphenylsilyl; optionally substituted alkyl; optionally substituted alkenyl or optionally substituted alkynyl. The compounds possess plant-protecting properties and are suitable for protecting plants against infestation by phytopathogenic miroorganism, especially fungi.

  本发明涉及一般式（I）的N-双芳基和N-芳基环烷基亚羟基和亚烷氧基乙酸酰胺，包括其光学异构体和混合物，其中R1为氢、C1-C12烷基；C2-C12烯基；C2-C12炔基；C1-C12卤代烷基；R2为氢；可选取代的烷基；可选取代的烯基或可选取代的炔基；R3为可选取代的芳基或可选取代的杂芳基；A为可选取代的饱和或不饱和C3-C8环烷基亚甲基、可选取代的苯亚甲基或可选取代的饱和或不饱和杂环亚甲基桥；R4和R5各自独立地为氢或有机基团，R6为氢；三C1-C4烷基硅基；二C1-C4烷基苯基硅基；C1-C4烷基二苯基硅基；三苯基硅基；可选取代的烷基、可选取代的烯基或可选取代的炔基。该化合物具有植物保护性能，适用于保护植物免受植物病原微生物（特别是真菌）的侵害。
• Phenylpyridine compound and fungicidal compostion containing the same
  申请人：Komori Takashi

  公开号：US20060041144A1

  公开（公告）日：2006-02-23

  A phenylpyridine compound represented by the formula has an excellent controlling activity against plant diseases: [, wherein, in the formula, R 1 , R 2 , R 3 , R 4 and R 5 independently represent a hydrogen atom, a halogen atom and the like; R 6 represents a hydrogen atom or a C1-C3 alkyl group; R 7 , R 8 and R 11 independently represent a hydrogen atom, a halogen atom and the like; R 9 and R 10 independently represent a hydroxyl group and the like; W 1 —W 2 ═W 3 —W 4 represents N—CH═CH—CH and the like; X represents an oxygen atom and the like; and Q represents a (C1-C6 alkoxy)methylene and the like].

  一种苯基吡啶化合物，其化学式如下，在该式中，R1、R2、R3、R4和R5独立地表示氢原子、卤素原子等；R6表示氢原子或C1-C3烷基；R7、R8和R11独立地表示氢原子、卤素原子等；R9和R10独立地表示羟基等；W1-W2═W3-W4表示N-CH═CH-CH等；X表示氧原子等；Q表示(C1-C6烷氧基)亚甲基等。该化合物对植物病害具有优异的控制活性。