(4-methyl)-3-hexenoic acid | 34935-26-7

• 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: (4-methyl)-3-hexenoic acid
• 英文别名: 4-Methylhex-3-enoic acid；(E)-4-methylhex-3-enoic acid
• CAS: 34935-26-7
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: VKWJULLMBKNPEC-GQCTYLIASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  β-isopropenyl-β-propiolactone 、 甲基溴化镁 在 copper(l) iodide 作用下， 生成 (4-methyl)-3-hexenoic acid
  参考文献：
  名称：

  使用有机铜试剂对 ω-烯基内酯进行区域和立体选择性开环

  摘要：

  描述了通过 β、γ 和 δ-内酯的区域和立体选择性开环来制备 (E)-3-、(E)-4- 和 (E)-5- 烯酸的新合成方法在碘化铜 (I) 存在下，使用有机铜试剂如卤化二有机铜酸盐或格氏试剂在 ω 位去除不饱和取代基。具有伯、仲、叔烷基和苯基的有机铜试剂均以良好的产率得到相应的碳同系链烯酸。通过 ω-烯基内酯与二乙烯基-和二烯丙基铜酸盐的反应，也以良好的产率获得链二烯酸。利用β-异丙烯基-β-丙内酯的开环，很容易以良好的收率获得高萜类羧酸。

  DOI：

  10.1246/bcsj.61.3255

文献信息

• Method for producing anellated tetrahydro-{1h}-triazoles
  申请人：——

  公开号：US20040097728A1

  公开（公告）日：2004-05-20

  The present invention relates to a process for preparing fused tetrahydro-[ 1 H]-triazoles of the formula I 1 where the variables R a , Z, Z 1 , X, W, n and Q are as defined in claim 1, by cyclization of compounds of the formula II 2 where R is C(X)OR 2 or C(X)SR 2 , where X is oxygen or sulfur, and R 2 is as defined in claim 1, in the presence of a base. The invention also relates to compounds of the formula I where W is sulfur if Z is a methylene group optionally substituted by R a , and furthermore to compounds of the formula I where Q is a benzoxazole or benzothiazole radical, and to the use of these compounds as herbicides.

  本发明涉及一种制备公式I的熔融四氢咪唑的方法，其中变量Ra、Z、Z1、X、W、n和Q如权利要求1中定义，通过在碱存在下，将公式II的化合物环化得到，其中R为C(X)OR2或C(X)SR2，其中X为氧或硫，R2如权利要求1中定义。该发明还涉及公式I的化合物，其中如果Z是可选地由Ra取代的亚甲基基团，则W为硫，此外还涉及公式I的化合物，其中Q为苯并噁唑或苯并噻唑基团，并将这些化合物用作除草剂。
• PROCESS FOR THE PREPARATION OF UNSATURATED CARBOXYLIC ACIDS BY CARBONYLATION OF ALLYL ALCOHOLS AND THEIR ACYLATION PRODUCTS
  申请人：BASF SE

  公开号：US20200055834A1

  公开（公告）日：2020-02-20

  The present invention relates to a process for carbonylating allyl alcohols at low temperature, low pressure and/or low catalyst loading. In an alternative embodiment, an acylation product of the allyl alcohol is used for the carbonylation. The present invention likewise relates to the preparation of conversion products of these carbonylation products and specifically of (−)-ambrox.

  本发明涉及一种在低温、低压和/或低催化剂负载下对烯丙醇进行羰基化的过程。在另一实施方式中，烯丙醇的酰化产物被用于羰基化。本发明还涉及制备这些羰基化产物的转化产物，特别是(−)-龙涎香。
• Palladium‐Catalyzed Low Pressure Carbonylation of Allylic Alcohols by Catalytic Anhydride Activation
  作者：Mathias Schelwies、Rocco Paciello、Ralf Pelzer、Wolfgang Siegel、Michael Breuer

  DOI：10.1002/chem.202005324

  日期：2021.6.25

  A direct carbonylation of allylic alcohols has been realized for the first time with high catalyst activity at low pressure of CO (10 bar). The procedure is described in detail for the carbonylation of E-nerolidol, an important step in a new BASF-route to (−)-ambrox. Key to high activities in the allylic alcohol carbonylation is the finding that catalytic amounts of carboxylic anhydride activate the

  首次实现了烯丙醇的直接羰基化，在低压 CO（10 巴）下具有高催化剂活性。详细描述了E-橙花醇羰基化的过程，这是巴斯夫新途径（-）-氨溴索中的重要步骤。烯丙醇羰基化中高活性的关键是发现催化量的羧酸酐活化底物并在反应条件下用一氧化碳不断再生。确定的反应条件也可转移到其他底物。
• Method of Evaluating Inhibitory Effect on Damp-Dry Malodor
  申请人：Kao Corporation

  公开号：US20150031041A1

  公开（公告）日：2015-01-29

  A method of evaluating inhibitory effect on damp-dry malodor, containing the steps of: bringing microorganisms which produce damp-dry malodor-causing substances and a test substance into contact with each other in the presence of a sebaceous dirt component; detecting expression of at least one kind of gene selected from a fatty acid desaturase gene and a β oxidation-related enzyme gene derived from the microorganisms; and thereby evaluating a damp-dry malodor inhibitory function of the test substance based on a change in expression amount of the at least one kind of gene.

  一种评估抑制潮湿-干燥异味的方法，包括以下步骤：在皮脂污垢成分的存在下，将产生潮湿-干燥异味物质的微生物和测试物质接触；检测来自微生物的至少一种基因表达，所述基因从脂肪酸脱饱和酶基因和β氧化相关酶基因中选择；并根据至少一种基因表达量的变化评估测试物质的潮湿-干燥异味抑制功能。
• Method of Screening Damp-Dry Malodor Inhibitor and Method of Evaluating Damp-Dry Malodor Inhibitor
  申请人：Mitani Asako

  公开号：US20130210061A1

  公开（公告）日：2013-08-15

  A method of screening a damp-dry malodor inhibitor, containing the steps of: bringing microorganisms having a 4-methyl-3-hexenoic acid production capacity into contact with a test substance in the presence of a sebaceous dirt component, detecting the production of a damp-dry malodor-causing substance by the microorganisms, and thereby selecting a test substance having a damp-dry malodor inhibitory function; and a method of evaluating a damp-dry malodor inhibitor, containing the steps of: bringing microorganisms having a 4-methyl-3-hexenoic acid production capacity into contact with a test substance in the presence of a sebaceous dirt component, detecting the production of a damp-dry malodor-causing substance by the microorganisms, and thereby evaluating the damp-dry malodor inhibitory function of the test substance.

  一种筛选防止潮湿干燥异味的方法，包括以下步骤：将具有4-甲基-3-己烯酸产生能力的微生物与测试物质在皮脂污垢成分存在下接触，检测微生物产生的潮湿干燥异味物质，从而选择具有潮湿干燥异味抑制功能的测试物质。以及一种评估防止潮湿干燥异味的方法，包括以下步骤：将具有4-甲基-3-己烯酸产生能力的微生物与测试物质在皮脂污垢成分存在下接触，检测微生物产生的潮湿干燥异味物质，从而评估测试物质的防止潮湿干燥异味功能。