2-羟基-2-苯基-庚酸 | 65662-67-1

• 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: 2-羟基-2-苯基-庚酸
• 英文名称: 2-hydroxy-2-phenyl-heptanoic acid
• 英文别名: 2-Hydroxy-2-phenyl-heptansaeure；Hydroxyphenylheptanoic acid；2-hydroxy-2-phenylheptanoic acid
• CAS: 65662-67-1
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: ATFAPMGQRYMYCT-UHFFFAOYSA-N

物化性质

• 熔点：
  102-103 °C
• 沸点：
  374.2±22.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-羟基-2-苯基-庚酸 在 盐酸 、 乙醇 作用下， 生成 2-hydroxy-2-phenyl-heptanoic acid ethyl ester
  参考文献：
  名称：

  5,5-Dialkyl-2,4-oxazolidinediones^1,2

  摘要：

  DOI：

  10.1021/ja01854a019
• 作为产物：
  描述：

  苯己酮 在 盐酸 、 氢氰酸 作用下， 生成 2-羟基-2-苯基-庚酸
  参考文献：
  名称：

  5,5-Dialkyl-2,4-oxazolidinediones^1,2

  摘要：

  DOI：

  10.1021/ja01854a019

文献信息

• [EN] PHOSPHITE STABILIZER FOR LUBRICATING BASE STOCKS AND THERMOPLASTIC POLYMERS<br/>[FR] STABILISANT DU TYPE PHOSPHITE POUR BASES LUBRIFIANTES ET POLYMÈRES THERMOPLASTIQUES
  申请人：CHEMTURA CORP

  公开号：WO2009158078A1

  公开（公告）日：2009-12-30

  A substituted phosphite suitable for lubricating base stocks and thermoplastic polymers represented by the structure: wherein R1 is selected from the group consisting of C1-C22 alkyl and C4-C22 cycloalkyl; R2 and R3 are selected to form a C5-C18 aryl; and R4 and R5 are selected from the group consisting of H, C1 -C22 alkyl, C2-C22 alkenyl, C4-C22; cycloalkyl and C5-C8 aryl. The substituted phosphite may be combined with at least one primary antioxidant as well as other additives.

  一种适用于润滑基础油和热塑性聚合物的磷酸酯替代物，其结构表示为：其中R1选自C1-C22烷基和C4-C22环烷基组成的基团；R2和R3被选择为形成C5-C18芳基；R4和R5选自H、C1-C22烷基、C2-C22烯基、C4-C22环烷基和C5-C8芳基组成的基团。该磷酸酯替代物可以与至少一种主要抗氧化剂以及其他添加剂结合使用。
• Polymer compositions containing benzimidazole based stabilizer compounds
  申请人：——

  公开号：US20040180995A1

  公开（公告）日：2004-09-16

  The invention discloses a stabilised resin composition comprising a thermoplastic resin and a stabilizing benzimidazole based additive compound. In a second embodiment, the invention discloses a method to make a stabilized composition comprising a benzimidazole based stabilising compound and a resin, said method comprising mixing said benzimidazole based stabilising compound with said resin.

  本发明公开了一种稳定的树脂组合物，包括热塑性树脂和稳定的苯并咪唑基添加剂化合物。在第二个实施例中，本发明公开了一种制备稳定组合物的方法，包括将苯并咪唑基稳定化合物与树脂混合。
• Alpha acyloxyacetamides for kallikrein and urokinase inhibition
  申请人：Genzyme Corporation

  公开号：US20040044075A1

  公开（公告）日：2004-03-04

  Disclosed herein is a compound represented by Structural Formula (I): 1 R 1 is a substituted or unsubstituted aryl group or alkyl group; R 2 is a substituted or unsubstituted aryl group or cycloalkyl group; Ar is a substituted or unsubstituted aryl group; X is a —CH 2 —, —O—, —S— or —CO—; m is an integer from zero to two; n is an integer from 0-2 when X is —O—, —S— and 1-2 when X is —CH 2 — or —CO—. Also disclosed are methods of inhibiting kallikrein activity or urokinase activity in subject in need of such inhibition by administering a compound represented by Structural Formula (I).

  本文披露了一种由结构式(I)表示的化合物：1R1是取代或未取代的芳基或烷基；R2是取代或未取代的芳基或环烷基；Ar是取代或未取代的芳基；X是—CH2—、—O—、—S—或—CO—；m是从零到二的整数；当X为—O—、—S—时，n是0-2，当X为— —或—CO—时，n为1-2。还披露了通过给需要抑制卡利克雷因活性或尿激酶活性的受体以结构式(I)表示的化合物来抑制其活性的方法。
• Über die Darstellung von basischen Estern III
  作者：K. Hoffmann、H. Schellenberg

  DOI：10.1002/hlca.19470300136

  日期：1947.2.1
• Synthesis and Structure−Activity Relationship Studies for Hydantoins and Analogues as Voltage-Gated Sodium Channel Ligands
  作者：Congxiang Zha、George B. Brown、Wayne J. Brouillette

  DOI：10.1021/jm040077o

  日期：2004.12.1

  We previously developed a preliminary 3-D QSAR model for the binding of 14 hydantoins to the neuronal voltage-gated sodium channel; this model was successful in designing,an effective non-hydantoin ligand. To further understand structural features that result in optimum binding. here we synthesized a variety of compound classes and evaluated their binding affinities to the neuronal voltage-gated sodium channel using the [H-3]-batrachotoxinin A 20-a-benzoate ([H-3]BTX-B) binding assay. In order to understand the importance of the hydantoin ring for good sodium channel binding, related non-hydantoins such as hydroxy amides, oxazolidinediones, hydroxy acids, and amino acids were included. Two major conclusions were drawn: (1) The hydantoin ring is not critical for compounds with long alkyl side chains, but it is important for compounds with shorter side chains. (2) Relative to Khodorov's pharmacophore. which contains two hydrophobic regions, a third hydrophobic region may enhance binding to provide nanomolar inhibitors.