2-(4-tert-Butyl-cyclohex-1-enyl)-propionic acid | 225792-72-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(4-tert-Butyl-cyclohex-1-enyl)-propionic acid
• 英文别名: 2-(4-Tert-butylcyclohexen-1-yl)propanoic acid
• CAS: 225792-72-3
• 化学式: C₁₃H₂₂O₂
• 分子量: 210.316
• InChiKey: HWNDFOAZWSQRIW-UHFFFAOYSA-N

物化性质

• 沸点：
  305.0±21.0 °C(Predicted)
• 密度：
  0.998±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.77
• 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-(4-tert-Butyl-cyclohex-1-enyl)-propionic acid 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以95%的产率得到2-(4-tert-butyl-cyclohex-1-enyl)-propan-1-ol
  参考文献：
  名称：

  Thallium Trinitrate Mediated Oxidation of 3-Alkenols:  Ring Contraction vs Cyclization

  摘要：

  The reaction of a series of six-membered ring 3-alkenols with thallium trinitrate (TTN) in three different experimental conditions was studied. Either cyclization products or ring contraction products were obtained, depending on the structure of the substrate as well as the nature of the solvent. The reaction of a seven-membered ring 3-alkenol with TTN led to the ring contraction product exclusively.

  DOI：

  10.1021/jo011178m
• 作为产物：
  描述：

  4-叔丁基环己酮 在 吡啶 、 氯化亚砜 、 碘 、 锌 作用下， 以 乙醚 、 苯 为溶剂， 反应 50.83h， 生成 2-(4-tert-Butyl-cyclohex-1-enyl)-propionic acid
  参考文献：
  名称：

  Thallium Trinitrate Mediated Oxidation of 3-Alkenols:  Ring Contraction vs Cyclization

  摘要：

  The reaction of a series of six-membered ring 3-alkenols with thallium trinitrate (TTN) in three different experimental conditions was studied. Either cyclization products or ring contraction products were obtained, depending on the structure of the substrate as well as the nature of the solvent. The reaction of a seven-membered ring 3-alkenol with TTN led to the ring contraction product exclusively.

  DOI：

  10.1021/jo011178m

文献信息

• Reaction Of β,γ-Unsaturated Carboxylic Acids With Thallium Triacetate (Tta): Lactonization<i>VS</i>Oxidative Decarboxylation
  作者：Helena M. C. Ferraz、Mčnica V. A. Grazini、Luiz F. Silva、Luiz S. Longo

  DOI：10.1080/00397919908086184

  日期：1999.6

  Abstract The reaction of six β,γ-unsaturated carboxylic acids with thallium triacetate (TTA) was studied. The nature of the products is highly sensitive to the substitution pattern of the substrates. Aliphatic acids gave mainly lactones, while those bearing an aromatic ring furnished only decarboxylation products.

  摘要 研究了六种β,γ-不饱和羧酸与三乙酸铊(TTA)的反应。产物的性质对底物的取代模式高度敏感。脂肪酸主要产生内酯，而带有芳环的脂肪酸只产生脱羧产物。
• [EN] REPELLENTS FOR ANTS<br/>[FR] PRODUIT ANTI-FOURMIS
  申请人：UNITED STATES OF AMERICA, as represented by THE SE

  公开号：WO1994003058A1

  公开（公告）日：1994-02-17

  (EN) A method has been discovered for repelling ants by treating objects or areas with effective amounts of compositions that include (a) one or more C6 to C8 carboxylic acids; (b) one or more C6 to C14 alcohols; (c) one or more esters which are reaction products of (a) and (b) or an ester which is a reaction product of the repellents and other carboxylic acids or alcohols; (d) one or more C6 to C11 carboxylic acid esters; (e) one or more C6 to C14 ketones; or (f) mixtures thereof.(FR) Un procédé pour repousser les fourmis en traitant les objets ou les surfaces avec des quantités efficaces de compositions, a été découvert. Ces compositions comprennent (a) un ou plusieurs acides carboxyliques C6 à C8; (b) un ou plusieurs alcools C6 à C14; (c) un ou plusieurs esters qui sont des produits de réaction avec (a) et (b) ou un ester qui est un produit de réaction des produits répulsifs et des autres acides carboxyliques ou alcools; (d) un ou plusieurs esters d'acides carboxyliques C6 à C11; (e) une ou plusieurs cétones; ou (f) leurs mélanges.