1-(2-ethylbutanoyl)cyclopropanecarbonitrile | 1864003-06-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2-ethylbutanoyl)cyclopropanecarbonitrile
• 英文别名: 1-(2-Ethyl-1-oxobutyl)cyclopropanecarbonitrile；1-(2-ethylbutanoyl)cyclopropane-1-carbonitrile
• CAS: 1864003-06-4
• 化学式: C₁₀H₁₅NO
• 分子量: 165.235
• InChiKey: IGKHYVIVWBDASL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-ethylbutanoyl)cyclopropanecarbonitrile 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 6.17h， 生成 methyl 2-[3-(1-cyanocyclopropyl)-4-ethyl-3-hydroxyhex-1-yn-1-yl]benzoate
  参考文献：
  名称：

  SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS

  摘要：

  通式（I）的取代乙烯基和炔基氰基环戊醇和乙烯基和炔基氰基杂环烷基醇或其盐，其中[X—Y]，Q，R1，R2，A1，A2，V，W，m和n均如描述中定义的那样，其制备方法以及用于增强植物对非生物胁迫的耐受性和/或增加植物产量的用途。

  公开号：

  US20170197910A1

文献信息

• SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES
  申请人：BAYER CROPSCIENCE AKTIENGESELLSCHAFT

  公开号：US20170210701A1

  公开（公告）日：2017-07-27

  The invention relates to cyano cycloalkyl penta-2,4-dienes, cyano cycloalkyl pent-2-en-4-ynes, cyano heterocyclyl penta-2,4-dienes and cyano heterocyclyl pent-2-en-4-ynes of general formula (I), or the salts thereof, where [X-Y], Q, R 1 , R 2 , A 1 , A 2 , V, W, m and n have the definitions specified in the description. The invention also relates to a production method for same and to the use of same for increasing stress tolerance in plants against abiotic stress, and/or for increasing the plant yield.

  该发明涉及一般式(I)的氰基环烷基戊二烯、氰基环烷基戊-2-炔、氰基杂环烷基戊二烯和氰基杂环烷基戊-2-炔，或其盐，其中[X-Y]、Q、R1、R2、A1、A2、V、W、m和n的定义如描述中所指定。该发明还涉及同类物质的生产方法以及将其用于增加植物对非生物胁迫的抗逆性和/或增加植物产量。
• Potent Analogues of Abscisic Acid - Identifying Cyano-Cyclopropyl Moieties as Promising Replacements for the Cyclohexenone Headgroup
  作者：Jens Frackenpohl、Guido Bojack、Rachel Baltz、Udo Bickers、Marco Busch、Jan Dittgen、Jana Franke、Jörg Freigang、Erwin Grill、Susana Gonzalez、Hendrik Helmke、Martin J. Hills、Sabine Hohmann、Pascal von Koskull-Döring、Jochen Kleemann、Gudrun Lange、Stefan Lehr、Dirk Schmutzler、Arno Schulz、Kerstin Walther、Lothar Willms、Christian Wunschel

  DOI：10.1002/ejoc.201701769

  日期：2018.3.29

  A novel headgroup bearing a cyano cyclopropyl moiety has been identified as a key motif, which proved to be a suitable replacement of ABA's cyclohexenone unit. These findings gave rise to a series of novel ABA analogues with strong efficacy in vivo against drought stress in several crops.

  带有氰基环丙基部分的新型头基已被鉴定为关键基序，已证明是ABA的环己烯酮单元的合适替代物。这些发现产生了一系列新颖的ABA类似物，它们在体内对几种作物的干旱胁迫具有强大的功效。
• Substituted cyano cycloalkyl penta-2,4-dienes, cyano cycloalkyl pent-2-en-4-ynes, cyano heterocyclyl penta-2,4-dienes and cyano heterocyclyl pent-2-en-4-ynes as active substances against abiotic plant stress
  申请人：BAYER CROPSCIENCE AKTIENGESELLSCHAFT

  公开号：US10322995B2

  公开（公告）日：2019-06-18

  Substituted cyano cycloalkyl penta-2,4-dienes, cyano cycloalkyl pent-2-en-4-ynes, cyano heterocyclyl penta-2,4-dienes and cyano heterocyclyl pent-2-en-4-ynes as active substances against abiotic plant stress Cyanocycloalkylpenta-2,4-dienes, cyanocycloalkylpent-2-en-4-ynes, cyanoheterocyclylpenta-2,4-dienes and cyanoheterocyclylpent-2-en-4-ynes of the general formula (I) or salts thereof where [X-Y], Q, R1, R2, A1, A2, V, W, m and n are each as defined in the description, to processes for preparation thereof and to the use thereof for enhancing stress tolerance in plants with respect to abiotic stress, and/or for increasing plant yield.

  取代的氰基环烷基戊-2,4-二烯、氰基环烷基戊-2-烯-4-炔、氰基杂环烷基戊-2,4-二烯和氰基杂环烷基戊-2-烯-4-炔作为抗植物非生物胁迫的活性物质 通式（I）的氰基环烷基戊-2,4-二烯、氰基环烷基戊-2-烯-4-炔、氰基杂环戊-2,4-二烯和氰基杂环戊-2-烯-4-炔或它们的盐 其中，[X-Y]、Q、R1、R2、A1、A2、V、W、m 和 n 各如说明中所定义，其制备工艺和用途用于提高植物对非生物胁迫的抗逆性和/或增加植物产量。
• SUBSTITUIERTE VINYL- UND ALKINYL-CYANOCYCLOALKANOLE SOWIE VINYL- UND ALKINYL-CYANOHETEROCYCLYLALKANOLE ALS WIRKSTOFFE GEGEN ABIOTISCHEN PFLANZENSTRESS
  申请人：Bayer CropScience Aktiengesellschaft

  公开号：EP3169662A1

  公开（公告）日：2017-05-24
• SUBSTITUIERTE CYANO-CYCLOALKYLPENTA-2,4-DIENE, CYANO-CYCLOALKYLPENT-2-EN-4-INE, CYANO-HETEROCYCLYLPENTA-2,4-DIENE UND CYANO-HETEROCYCLYLPENT-2EN-4-INE ALS WIRKSTOFFE GEGEN ABIOTISCHEN PFLANZENSTRESS
  申请人：Bayer CropScience Aktiengesellschaft

  公开号：EP3172187A1

  公开（公告）日：2017-05-31