methyl (Z)-3-methylhept-2-enoate | 22146-95-8

• 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 (Z)-3-methylhept-2-enoate
• 英文别名: (Z)-3-methyl-hept-2-enoic acid methyl ester；seq-cis-3-Methyl-hepten-(2)-saeure
• CAS: 22146-95-8
• 化学式: C₉H₁₆O₂
• 分子量: 156.225
• InChiKey: HNWUSDMNZOAUQR-FPLPWBNLSA-N

物化性质

• 沸点：
  193.7±9.0 °C(Predicted)
• 密度：
  0.897±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl (Z)-3-methylhept-2-enoate 生成 (Z)-3-methylhept-2-en-1-ol
  参考文献：
  名称：

  3-甲基-2-烯基焦磷酸盐与异戊烯基焦磷酸盐的酶促缩合。

  摘要：

  DOI：

  10.1021/ja00723a037
• 作为产物：
  描述：

  2-丁炔酸甲酯 生成 methyl (Z)-3-methylhept-2-enoate
  参考文献：
  名称：

  YEH, MING CHANG P.;KNOCHEL, PAUL, TETRAHEDRON LETT., 30,(1989) N6, C. 4799-4802

  摘要：

  DOI：

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。
• SUBSTITUTED 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENTA-2,4-DIENES AND 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENT-2-ENE-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESSES IN PLANTS
  申请人：Frackenpohl Jens

  公开号：US20140051577A1

  公开（公告）日：2014-02-20

  The invention relates to substituted 5-(bicyclo[4.1.0]hept-3-en-2-yl)penta-2,4-dienes and 5-(bicyclo[4.1.0]hept-3-en-2-yl)pent-2-ene-4-ines of the formula (I) and salts thereof, where the radicals R1, R2, R3, R4, R5, [X—Y] and Q 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.

  该发明涉及代换的5-(bicyclo[4.1.0]庚-3-烯-2-基)戊-2,4-二烯和5-(bicyclo[4.1.0]庚-3-烯-2-基)戊-2-烯-4-炔的化合物及其盐，其中基团R1、R2、R3、R4、R5、[X—Y]和Q的定义如描述中所示，以及其制备方法和用途，用于增强植物对非生物胁迫的抗压能力，和/或增加植物产量。
• SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS
  申请人：Frackenpohl Jens

  公开号：US20140087949A1

  公开（公告）日：2014-03-27

  The invention relates to substituted 5-(cyclohex-2-en-1-yl)penta-2,4-dienes and 5-(cyclohex-2-en-1-yl)pent-2-en-4-ines of the formula (I) and their salts where the radicals R 1 , R 2 , R 3 , R 4 , [X—Y] and Q 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.

  该发明涉及代换的5-(环己-2-烯-1-基)戊-2,4-二烯和5-(环己-2-烯-1-基)戊-2-烯-4-炔的化合物(I)及其盐，其中基团R1、R2、R3、R4、[X—Y]和Q如描述中所定义，以及其制备方法和用途，用于增强植物对非生物胁迫的抗逆性，并/或增加植物产量。
• Reformatsky-type addition of esters of α-halogeno carboxylic acids to aldehydes and ketones in the presence of Fe(CO)5
  作者：A. B. Terent'ev、T. T. Vasil'eva、N. A. Kuz'mina、E. I. Mysov、N. S. Ikonnikov、N. Yu. Kuznetsov、Yu. N. Belokon

  DOI：10.1007/bf02496013

  日期：1999.6

  Reformatsky-type addition of esters of α-halogeno carboxylic acids to aldehydes and ketones in the presence of Fe(CO)5 and an activating agent (CBrCl3 or I2) afforded the corresponding esters of β-hydroxy acids in good yields. Possible reaction mechanisms are discussed.

  在 Fe(CO)5 和活化剂（CBrCl3 或 I2）存在下，α-卤代羧酸酯与醛和酮的 Reformatsky 型加成以良好的产率得到相应的 β-羟基酸酯。讨论了可能的反应机制。
• The favorskii rearrangement of dichlorinated methylketones
  作者：N. Schamp、N. De Kimpe、W. Coppens

  DOI：10.1016/0040-4020(75)80198-0

  日期：1975.1

  Twenty-two dichlorinated methylketones have been submitted to Favorskii rearrangement in NaOMeMeOH. Distribution of products is strongly dependent on substitution. Primary dichloromethyl-ketones (R2 = H) gave rise to Favorskii esters only. Results are explained by a cyclopropanone intermediate, which is formed stereospecifically by disrotative closure of a delocalized zwitter-ion. Opening of the cyclopropanone

  已经在NaOMeMeOH中对22个二氯代甲基酮进行了Favorskii重排。产品的分销在很大程度上取决于替代。伯二氯甲基酮（R 2 = H）仅产生Favorskii酯。结果由环丙酮中间体解释，该中间体通过离域封闭的两性离子的旋转封闭立体定向形成。环丙烷酮中间体的打开受空间和电子影响。相反，仲二氯甲基酮（R 2 ≠H）紧接着衍生自溶剂分解机理的甲氧基酮，提供了Favorskii酯。