2-methylcyclohex-2-ene-1-carboxylic acid | 90199-13-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-methylcyclohex-2-ene-1-carboxylic acid
• 英文别名: 2-methyl-cyclohex-2-enecarboxylic acid；Δ²-Tetrahydro-o-toluylsaeure；2-Methyl-cyclohex-2-encarbonsaeure
• CAS: 90199-13-6
• 化学式: C₈H₁₂O₂
• mdl: MFCD19229605
• 分子量: 140.182
• InChiKey: YVPOONCDSJKZCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methylcyclohex-2-ene-1-carboxylic acid 在 氯仿 、 溴 作用下， 生成 2,3-dibromo-2-methyl-cyclohexanecarboxylic acid
  参考文献：
  名称：

  Perkin, Journal of the Chemical Society, 1911, vol. 99, p. 757

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 2-methylcyclohex-2-ene-1-carboxylic acid
  参考文献：
  名称：

  Perkin, Journal of the Chemical Society, 1911, vol. 99, p. 757

  摘要：

  DOI：

文献信息

• EtAlCl₂/2,6-Disubstituted Pyridine-Mediated Carboxylation of Alkenes with Carbon Dioxide
  作者：Shinya Tanaka、Kota Watanabe、Yuuki Tanaka、Tetsutaro Hattori

  DOI：10.1021/acs.orglett.6b00918

  日期：2016.6.3

  and trialkyl-substituted alkenes undergo carboxylation with CO2 in the presence of EtAlCl2 and 2,6-dibromopyridine to afford the corresponding α,β- and/or β,γ-unsaturated carboxylic acids. This reaction is suggested to proceed via the electrophilic substitution of EtAlCl2 with the aid of the base, followed by the carbonation of the resulting ate complex. This reaction can be applied to terminal dialkylalkenes

  在EtAlCl 2和2,6-二溴吡啶的存在下，α-芳基烯烃和三烷基取代的烯烃与CO 2进行羧化反应，得到相应的α，β-和/或β，γ-不饱和羧酸。建议该反应通过在碱的辅助下对EtAlCl 2进行亲电取代，然后将所得的盐配合物碳酸化来进行。通过使用2，6-二叔丁基吡啶和2，6-二溴吡啶的混合物，该反应可用于末端二烷基烯烃。
• Selective heterogeneous palladium-catalyzed hydrogenations of watersoluble alkenes and alkynes
  作者：James M Tour、Shekhar L Pendalwar

  DOI：10.1016/s0040-4039(00)97715-3

  日期：1990.1

  Treatment of water-soluble alkenes or alkynes with palladium(II) acetate and triethoxysilane at room temperature afforded the corresponding hydrogenated products in high yields. Simple introduction of a stoichiometric amount of hydrogen is accomplished by using triethoxysilane as the hydrogen source.

  在室温下用乙酸钯（II）和三乙氧基硅烷处理水溶性烯烃或炔烃以高收率得到相应的氢化产物。通过使用三乙氧基硅烷作为氢源，可以简单地引入化学计算量的氢。
• 1-Cycloalkenyltetrazolinones
  申请人：NIHON BAYER AGROCHEM K.K.

  公开号：EP0728750A1

  公开（公告）日：1996-08-28

  1-Cycloalkenyltetrazolinone derivatives of the following formulae (I) and (II): wherein R1represents cycloalkenyl which may optionally be substituted by halogen or C1-4 alkyl, or bicycloalkenyl which may optionally be substituted by halogen or C1-4 alkyl, and R2 and R3each independently represents alkyl, cycloalkyl, phenyl, substituted phenyl (said substituent being selected from nitro, cyano, halogen, alkyl, haloalkyl, alkoxy, haloalkoxy and alkylthio), alkenyl or alkynyl, or R2 and R3may optionally form, together with N-atom to which they are bonded, a 5- or 6-membered heterocyclic ring, said heterocyclic ring may optionally be benzo-condensed and/or be substituted by C1-4 alkyl. The compounds of formula (I) exhibit an excellent herbicidal activity and the compounds of formula (II) are useful as intermediate compounds in the production process of the compounds of the formula (I).

  下式(I)和(II)的 1-环烯基四唑啉酮衍生物： 其中 R1 代表可任选被卤素或 C1-4 烷基取代的环烯基，或可任选被卤素或 C1-4 烷基取代的双环烯基，以及 R2 和 R3 各自独立地代表烷基、环烷基、苯基、取代苯基（所述取代基选自硝基、氰基、卤素、烷基、卤代烷基、烷氧基、卤代烷氧基和烷硫基）、烯基或炔基、 或 R2 和 R3 可选择与它们所结合的 N 原子一起形成一个 5 或 6 元杂环，所述杂环可选择为苯并缩合和/或被 C1-4 烷基取代。 式（I）化合物具有优异的除草活性，式（II）化合物可作为式（I）化合物生产过程中的中间化合物。
• TOUR, JAMES M.;PENDALWAR, SHEKHAR L., TETRAHEDRON LETT., 31,(1990) N3, C. 4719-4722
  作者：TOUR, JAMES M.、PENDALWAR, SHEKHAR L.

  DOI：——

  日期：——
• US5654257A
  申请人：——

  公开号：US5654257A

  公开（公告）日：1997-08-05