(Z)-2-甲基戊-2-烯酸 | 1617-37-4

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: (Z)-2-甲基戊-2-烯酸
• 英文名称: cis-2-methyl-pent-2-enoic acid
• 英文别名: cis-2-Methyl-pent-2-ensaeure；2-Pentenoic acid, 2-methyl-, (2Z)-；(Z)-2-methylpent-2-enoic acid
• CAS: 1617-37-4
• 化学式: C₆H₁₀O₂
• 分子量: 114.144
• InChiKey: JJYWRQLLQAKNAD-PLNGDYQASA-N

物化性质

• LogP：
  1.890
• 物理描述：
  colourless to pale yellow liquid; fruity aroma
• 沸点：
  214.0 °C
• 熔点：
  24.4 °C
• 溶解度：
  Slightly soluble in water; soluble in chloroform, carbon disulfide, ether
• 密度：
  0.976-0.982
• 折光率：
  1.450-1.460

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2916190090

反应信息

• 作为反应物：
  描述：

  (Z)-2-甲基戊-2-烯酸 在 溴 、 碳酸氢钠 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.58h， 生成 (E)-2-bromo-2-pentene
  参考文献：
  名称：

  (E)- 和 (Z)-2-Bromo-2-pentenes 的实用立体选择性合成

  摘要：

  摘要描述了以反式-2-甲基-2-戊烯酸为原料制备 (E)-2-bromo-2-pentene 和 (Z)-2-bromo-2-pentene 的一种简短的立体选择性制备方法。

  DOI：

  10.1080/00397919808005945
• 作为产物：
  描述：

  2-羟基-2-甲基戊腈 在 盐酸 作用下， 生成 (Z)-2-甲基戊-2-烯酸
  参考文献：
  名称：

  Lucas; Prater, Journal of the American Chemical Society, 1937, vol. 59, p. 1684

  摘要：

  DOI：

文献信息

• Process for the preparation of an aldehyde
  申请人：DSM N.V.

  公开号：EP0839787A1

  公开（公告）日：1998-05-06

  Process for the preparation of an aldehyde through hydroformylation of an unsaturated organic compound in the presence of a catalyst system comprising rhodium or iridium and a multidentate organic phosphite ligand, wherein a monodentate phosphine is present. The process according to the invention can advantageously be carried out for the preparation of methyl-5-formylvalerate, which is an intermediate product in the preparation of ε-caprolactam or adipic acid, which are in turn raw materials for the preparation of nylon-6 and nylon-6,6, respectively.

  在由铑或铱和多价有机亚磷酸酯配体组成的催化剂体系存在下，通过不饱和有机化合物的氢甲酰化制备醛的工艺，其中存在单价膦。 5-甲酰基戊酸甲酯是制备ε-己内酰胺或己二酸的中间产物，而ε-己内酰胺或己二酸又分别是制备尼龙-6 和尼龙-6,6 的原料。
• Continuous process for producing an aldehyde
  申请人：DSM N.V.

  公开号：EP1249445A1

  公开（公告）日：2002-10-16

  A continuous process for producing an aldehyde comprising exposing an olefinically unsaturated compound to a mixture comprising carbon monoxide, hydrogen and a rhodium-organobisphosphite complex catalyst, wherein said mixture contains less than: a) 1000 part per million vinyl cyclohexene, b) 25 parts per million butadiene, c) 25 parts per million of other multi-unsaturated conjugated organic compounds, d) 100 parts per million water, e) 100 parts per million peroxide, f) 2 percent by weight methyl-2-methyl-2-butenoate, g) 100 parts per million primary alcohol, h) 100 parts per million oxygen, and i) 10 parts per million halogen.

  一种生产醛的连续工艺，包括将烯烃不饱和化合物暴露于由一氧化碳、氢气和亚磷酸铑-有机物络合物催化剂组成的混合物中，其中所述混合物的含量小于： a) 百万分之一千的乙烯基环己烯、 b) 百万分之 25 的丁二烯、 c) 百万分之 25 的其他多不饱和共轭有机化合物、 d) 百万分之 100 的水 e) 百万分之 100 的过氧化物 f) 2%重量比的 2-甲基-2-丁烯酸甲酯、 g) 百万分之 100 的伯醇 h) 百万分之 100 的氧气，以及 i) 百万分之 10 的卤素。
• Fractionated products obtained from gamboge resin, and medical uses of the same
  申请人：Taiwan Sunpan Biotechnology Development Co., Ltd.

  公开号：EP2395007A1

  公开（公告）日：2011-12-14

  Disclosed herein are seventeen new compounds and five fractionated products obtained from an acetone-extracted product of gamboge resin. The seventeen new compounds and the five fractionated products have activities in inhibiting the growth of tumor/cancer cells. In addition, the acetone-extracted product of gamboge resin and the five fractionated products obtained therefrom have analgesic and anti-inflammatory effects.

  本文公开了十七种新化合物和五种从甘宝树脂丙酮萃取产物中获得的分馏产物。这十七种新化合物和五种分馏产物具有抑制肿瘤/癌细胞生长的活性。此外，三竹树脂的丙酮提取物及其五种分馏产物还具有镇痛和消炎作用。
• Process to separate a rhodium/phosphite ligand complex and free phosphite ligand complex from a hydroformylation mixture
  申请人：——

  公开号：US20030018210A1

  公开（公告）日：2003-01-23

  Process to separate a rhodium/phosphite ligand complex and free phosphite ligand from a hydroformylation mixture also containing high boiling hydroformylation compounds by contacting said mixture with a polymeric membrane, wherein said mixture is diluted with at least one diluent compound having a solubility parameter such that the absolute difference in relation to the solubiltity parameter of the polymeric membrane lies between 0 and 400square root}square root over (KJ/m 3 )} and the ratio of the molar volume of the phosphite ligand and said diluent compound is ≧1.5, to such an extent that the amount of high boiling compounds in said mixture is ≦50 wt. % (relative to the total amount of the mixture) and the amount of compounds with a molecular weight of between x ±200 is ≦20 wt. % (relative to the total amount of the mixture) whereby x is the cut-off of the membrane (g/mole).

  将铑/亚磷酸配体络合物和游离亚磷酸配体从还含有高沸点加氢甲酰化合物的加氢甲酰化混合物中分离出来的工艺，方法是将所述混合物与聚合物膜接触，其中所述混合物用至少一种稀释剂化合物稀释，该稀释剂化合物的溶解度参数与聚合物膜的溶解度参数的绝对差值介于0和400平方根}平方根大于(KJ/m) 3 )}，亚磷酸配体与所述稀释剂化合物的摩尔体积之比为 1.5，以至于所述混合物中高沸点化合物的量为 50 重量％（相对于混合物的总量），分子量在 x ±200 之间的化合物的量为 20 重量％（相对于混合物的总量），其中 x 为膜的截止值（克/摩尔）。
• Structure-Activity Relationships of Unsaturated Analogs of Valproic Acid
  作者：Jan Palaty、Frank S. Abbott

  DOI：10.1021/jm00017a024

  日期：1995.8

  The principal metabolite of valproic acid (VPA), 2-ene VPA, appears to share most of VPA's pharmacological and therapeutic properties while lacking its hepatotoxicity and teratogenicity, thus making it a useful lead compound for the development of safer antiepileptic drugs. Analogues of 2-ene VPA were evaluated for anticonvulsant activity in mice using the subcutaneous pentylenetetrazole test. Cyclooctylideneacetic acid exhibited a potency markedly exceeding that of VPA itself with only modest levels of sedation. Potency, as either ED(50) or brain concentration, was highly correlated (r > 0.85) with volume and lipophilicity rather than with one of the shape parameters calculated by molecular modeling techniques, arguing against the existence of a specific receptor site. Instead, a role for the plasma membrane in mediating the anticonvulsant effect is suggested.