2-hydroxy-3-methyl-2-phenylbutanoic acid | 15879-60-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-hydroxy-3-methyl-2-phenylbutanoic acid
• 英文别名: 2-Hydroxy-2-phenylisovaleriansaeure
• CAS: 15879-60-4
• 化学式: C₁₁H₁₄O₃
• mdl: MFCD00021679
• 分子量: 194.23
• InChiKey: KWPNNDWNSLBFPU-UHFFFAOYSA-N

物化性质

• 熔点：
  146-147 °C
• 沸点：
  341.9±22.0 °C(Predicted)
• 密度：
  1.176±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2918199090

反应信息

• 作为反应物：
  描述：

  2-hydroxy-3-methyl-2-phenylbutanoic acid 在 (NMe₄)Co(III)Me₂opba*2H₂O*CH₃CN 、 氧气 、 特戊醛 作用下， 以 乙腈 为溶剂， 反应 4.5h， 以55%的产率得到异丁酰苯
  参考文献：
  名称：

  Nucleophilic benzoylation using lithiated methyl mandelate as a synthetic equivalent of the benzoyl carbanion. Oxidative decarboxylation of α-hydroxyacids

  摘要：

  The synthesis of alkyl aryl ketones using lithiated methyl mandelate as a synthetic equivalent of the benzoyl carbanion is reported (Umpolung). The methodology involves alkylation of methyl mandelate, hydrolysis of the ester group and oxidative decarboxylation of the resulting -alpha -hydroxyacids. The last step is carried out in a catalytic aerobic way using a Co(III) complex in the presence of pivalaldehyde under very mild and advantageous conditions. The procedure is also applied to methyl mandelates substituted on the aromatic ring. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)01097-8
• 作为产物：
  描述：

  2-Hydroxy-3-methyl-2-phenyl-butyramide 以80%的产率得到
  参考文献：
  名称：

  MASHEVSKAYA M. S.; VAXRIN M. I., IZV. VUZOV. XIMIYA I XIM. TEXNOL., 1979, 22, HO 11, 1323-1326

  摘要：

  DOI：

文献信息

• Identification of Novel Fragments Binding to the PDZ1‐2 Domain of PSD‐95
  作者：Jie Zang、Fei Ye、Sara M. Ø. Solbak、Lars J. Høj、Mingjie Zhang、Anders Bach

  DOI：10.1002/cmdc.202000865

  日期：2021.3.18

  promising strategy for the treatment of ischemic stroke, as shown with peptide‐based compounds that target the PDZ domains of PSD‐95. In contrast, developing potent and drug‐like small molecules against the PSD‐95 PDZ domains has so far been unsuccessful. Here, we explore the druggability of the PSD‐95 PDZ1‐2 domain and use fragment screening to investigate if this protein is prone to binding small molecules

  抑制 PSD-95 已成为治疗缺血性中风的一种有前景的策略，如靶向 PSD-95 PDZ 结构域的基于肽的化合物所示。相比之下，开发针对 PSD-95 PDZ 结构域的强效药物样小分子迄今尚未成功。在这里，我们探索了 PSD-95 PDZ1-2 结构域的成药性，并使用片段筛选来研究该蛋白质是否易于结合小分子。我们通过荧光偏振 (FP) 筛选了 2500 个片段，并通过表面等离子共振 (SPR) 验证了命中，包括抑制反测，并发现了四个有希望的片段。1 H、15 N HSQC NMR显示三个配体有效片段结合在小的疏水性 P 0PDZ1-2 的口袋，其中一个进行了构效关系（SAR）研究。总体而言，我们证明了片段筛选可以成功应用于 PSD-95 的 PDZ1-2，并公开了可作为优化小分子 PDZ 域抑制剂的起点的新片段。
• Arylacetic amide derivative or salt thereof, and pharmaceutical
  申请人：SSP Co., Ltd.

  公开号：US06060485A1

  公开（公告）日：2000-05-09

  Described is an arylacetic amide derivative represented by the following formula (1): ##STR1## wherein R.sup.1 represents an aryl group or the like, R.sup.2 and R.sup.3 each independently represents an alkyl group, a cycloalkyl group or the like, and R.sup.4 represents an aralkyl group, an alkyl group or the like; or salt thereof. The compound according to the present invention has both excellent anticholinergic action and calcium antagonism and at the same time has high selectivity to bladder, so that it is useful as a preventive or remedy for urinary disorders.

  描述的是一种芳基乙酰胺衍生物，其化学式如下（1）：##STR1##其中R.sup.1代表芳基或类似物，R.sup.2和R.sup.3各自独立代表烷基、环烷基或类似物，R.sup.4代表芳基烷基、烷基或类似物；或其盐。根据本发明的化合物既具有优良的抗胆碱作用和钙拮抗作用，同时对膀胱具有高选择性，因此可用作预防或治疗尿路障碍的药物。
• Heat-resistant resin composition
  申请人：KONISHI CO., LTD.

  公开号：EP0566780A1

  公开（公告）日：1993-10-27

  Disclosed is a heat-resistant resin composition prepared by mixing (A) a resin composition and (B) a hardener of an epoxy resin, followed by heating the mixture for curing, said composition (A) being prepared by heating a mixture of (a) a polymaleimide resin represented by the following general formula: (wherein R₁ represents an organic group having a valency of n, Xa and Xb represent monovalent atoms or groups which are the same or different and selected from a hydrogen atom, a halogen atom, and an organic group, and n represents 1 to 4), (b) an epoxy resin having at least two epoxy groups in a molecule thereof, and (c) a compound containing at least one hydroxyl group, at least one carboxyl group, or both at least one hydroxyl group and at least one carboxyl group in a molecule thereof.

  本发明公开了一种耐热树脂组合物，其制备方法是混合(A)树脂组合物和(B)环氧树脂固化剂，然后加热混合物使其固化，所述组合物(A)的制备方法是加热(a)由以下通式表示的聚马来酰亚胺树脂的混合物： (其中，R₁ 代表化合价为 n 的有机基团，Xa 和 Xb 代表选自氢原子、卤素原子和有机基团的相同或不同的单价原子或基团，n 代表 1 至 4）、(c) 分子中含有至少一个羟基、至少一个羧基或至少一个羟基和至少一个羧基的化合物。
• Arylacetic amide derivative or salt thereof, and pharmaceutical comprising it
  申请人：SSP Co., Ltd.

  公开号：EP0913393A2

  公开（公告）日：1999-05-06

  Described is an arylacetic amide derivative represented by the following formula (1): wherein R1 represents an aryl group or the like, R2 and R3 each independently represents an alkyl group, a cycloalkyl group or the like, and R4 represents an aralkyl group, an alkyl group or the like; or salt thereof. The compound according to the present invention has both excellent anticholinergic action and calcium antagonism and at the same time has high selectivity to bladder, so that it is useful as a preventive or remedy for urinary disorders.

  所述的是由下式（1）代表的芳基乙酰胺衍生物： 其中 R1 代表芳基或类似物，R2 和 R3 各自独立地代表烷基、环烷基或类似物，R4 代表芳基、烷基或类似物；或其盐。本发明的化合物同时具有优异的抗胆碱能作用和钙拮抗作用，同时对膀胱具有高选择性，因此可作为泌尿系统疾病的预防或治疗药物。
• Geffken, Detlef; Strohauer, Knuth, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1985, vol. 40, # 3, p. 398 - 401
  作者：Geffken, Detlef、Strohauer, Knuth

  DOI：——

  日期：——