2-ethyl-4-methylpentanenitrile | 29770-72-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-ethyl-4-methylpentanenitrile
• 英文别名: 2-Ethyl-4-methylpentanonitril
• CAS: 29770-72-7
• 化学式: C₈H₁₅N
• mdl: MFCD11044506
• 分子量: 125.214
• InChiKey: VARJVIPTAAIJST-UHFFFAOYSA-N

物化性质

• 沸点：
  182.5±8.0 °C(Predicted)
• 密度：
  0.809±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-ethyl-4-methylpentanenitrile 在 镍 2,2'-联吡啶 、 氢气 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， -78.0~20.0 ℃ 、330.95 kPa 条件下， 反应 18.0h， 生成 4-ethyl-4-isobutylpyrrolidin-2-one
  参考文献：
  名称：

  Structure−Activity Relationships of Pregabalin and Analogues That Target the α₂-δ Protein

  摘要：

  Pregabalin exhibits robust activity in preclinical assays indicative of potential antiepileptic, anxiolytic, and antihyperalgesic clinical efficacy. It binds with high affinity to the alpha(2)-delta subunit of voltage-gated calcium channels and is a substrate of the system L neutral amino acid transporter. A series of pregabalin analogues were prepared and evaluated for their alpha(2)-delta binding affinity as demonstrated by their ability to inhibit binding of [H-3]gabapentin to pig brain membranes and for their potency to inhibit the uptake of [H-3]leucine into CHO cells, a measure of their ability to compete with the endogenous substrate at the system L transporter. Compounds were also assessed in vivo for their ability to promote anxiolytic, analgesic, and anticonvulsant actions. These studies suggest that distinct structure activity relationships exist for alpha(2)-delta binding and system L transport inhibition. However, both interactions appear to play an important role in the in vivo profile of these compounds.

  DOI：

  10.1021/jm049762l
• 作为产物：
  描述：

  2-Chlor-4-methylpentanonitril 、 三乙基硼 在 2,6-二叔丁基苯酚 、 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成 2-ethyl-4-methylpentanenitrile
  参考文献：
  名称：

  Reaction of organoboranes with dichloroacetonitrile under the influence of potassium 2,6-di-tert-butylphenoxide. A convenient general procedure for the preparation of .alpha.-chloro nitriles and dialkylacetonitriles

  摘要：

  DOI：

  10.1021/ja00722a070

文献信息

• A PROCESS FOR THE PREPARATION OF PREGABALIN
  申请人：Hikal Limited

  公开号：EP2916832B1

  公开（公告）日：2019-01-16
• DEGRADABLE POLYMER COMPOSITIONS AND USES THEREOF
  申请人：Isp Investments Inc.

  公开号：EP2414456A1

  公开（公告）日：2012-02-08
• US8134023B2
  申请人：——

  公开号：US8134023B2

  公开（公告）日：2012-03-13
• US8895478B2
  申请人：——

  公开号：US8895478B2

  公开（公告）日：2014-11-25
• [EN] DEGRADABLE POLYMER COMPOSITIONS AND USES THEREOF<br/>[FR] COMPOSITIONS DE POLYMÈRE DÉGRADABLE ET LEURS UTILISATIONS
  申请人：ISP INVESTMENTS INC

  公开号：WO2010114761A1

  公开（公告）日：2010-10-07

  The invention relates to novel polymers derived from: (A) at least one N-vinyl amide-based unit and/or at least one acrylamide-based unit, and (B) at least one unit comprising: (i) at least one hydroxyl group, and/or (ii) at least one functional group convertible to a hydroxyl group wherein at least one group is converted to hydroxyl functionality in the final polymer product, wherein the polymer comprises at least one ester group. The polymers and compositions are used in oilfield applications, such as an inhibitor of gas hydrates and/or a kinetic inhibitor of gas hydrates. The polymer can assume alternating, block, and/or random configurations of the repeating units, with at least one ester group.