3,3-diethoxy-3-phenyl-propionic acid ethyl ester | 96516-58-4

• 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: 3,3-diethoxy-3-phenyl-propionic acid ethyl ester
• 英文别名: 3,3-Diaethoxy-3-phenyl-propionsaeure-aethylester；Benzoylessigsaeure-aethylester-diaethylacetal；β.β-Diaethoxy-β-phenyl-propionsaeure-aethylester；Ethyl 3,3-diethoxy-3-phenylpropanoate
• CAS: 96516-58-4
• 化学式: C₁₅H₂₂O₄
• 分子量: 266.337
• InChiKey: UVFZANXAJJCYBO-UHFFFAOYSA-N

物化性质

• 沸点：
  86-89 °C(Press: 0.24 Torr)
• 密度：
  1.044±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,3-diethoxy-3-phenyl-propionic acid ethyl ester 生成 ethyl β-ethoxycinnamate
  参考文献：
  名称：

  Malignant Tumor with Chest Wall Pain Mimicking Tietze’s Syndrome

  摘要：

  Chest pain is commonly caused by musculoskeletal chest wall disorders. Tietze's syndrome is a relatively rare cause of chest wall pain characterised by non-suppurative, painful swelling of the upper costal cartilages. The diagnosis should be based on these classic clinical features after excluding other potential causes of pain. A patient who was diagnosed with Tietze's syndrome but was found to have squamous cell carcinoma of the mediastinum with unknown primary site invading the sternum and anterior chest wall is presented for discussion.

  DOI：

  10.1007/pl00011203
• 作为产物：
  描述：

  乙醇 、 苯丙炔酸乙酯 在 sodium 作用下， 生成 3,3-diethoxy-3-phenyl-propionic acid ethyl ester
  参考文献：
  名称：

  Moureu, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1904, vol. 138, p. 208

  摘要：

  DOI：
• 作为试剂：
  描述：

  ethyl β-ethoxycinnamate 在 3,3-diethoxy-3-phenyl-propionic acid ethyl ester 、 sodium ethanolate 、 对甲苯磺酸 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 20.83h， 生成 ethyl 7-(2-(4-chlorophenyl)hydrazino)-5-phenylthieno<3,2,-b>pyridine-6-carboxylate monohydrochloride
  参考文献：
  名称：

  Synthesis and evaluation of a series of aryl[e]fused pyrazolo[4,3-c]pyridines with potential anxiolytic activity

  摘要：

  A series of pyrazolo[4,3-c]pyridines has been synthesized and evaluated as potential anxiolytic agents. Selected compounds from this series show a pharmacological profile of action different from that of diazepam. A number of the compounds possess higher affinity for central benzodiazepine receptors than diazepam, yet show less anticonvulsant activity and are less sedative. The structure-activity relationships of these potential anxiolytic agents are discussed.

  DOI：

  10.1021/jm00171a046

文献信息

• Anxiolytic and anti-depressant thienopyridine derivatives
  申请人：BEECHAM GROUP PLC

  公开号：EP0126970A2

  公开（公告）日：1984-12-05

  Compounds of formula (I) and pharmaceutically acceptable salts thereof: wherein: G together with the two carbon atoms to which it is bonded is a thieno moiety; R, is phenyl optionally substituted by one or more C1-6 alkyl, C1-6 alkoxy, C1-6 alkylthio, hydroxy, C2-7 alkanoyl, halo, trifuluoromethyl, nitro, amino optionally substituted by one or two C1-6 alkyl groups or by C2- 7 alkanoyl, cyano, carbamoyl or carboxy groups; or pyridyl optionally substituted by C1-6 alkyl or halo; R6 is hydrogen, c1-6 alkyl or phenyl optionally substituted as defined hereinbefore for R1 when phenyl; R8 is hydrogen, one of the optional substituents recited hereinbefore for R, when phenyl or phenyl optionally substituted as defined hereinbefore for R, when phenyl; and either R2 is hydrogen, or C1-6 alkyl optionally substituted by hydroxy, amino disubstituted by C1-6 alkyl, or phenyl optionally substituted as defined hereinbefore for R, when phenyl; R3 and R4 together represent a bond; R5 and R7 together represent a bond; and R9 is hydrogen and R10 is hydroxy, C1-6 alkoxy or amino optionally substituted by one or two independently selected C1-6 alkyl groups or by phenyl optionally substituted as defined hereinbefore for R, when phenyl, or Rg and R,o together represent a bond; or R2 and R3 together represent a bond; R4 and R5 together represent a bond; and R7 is hydrogen, C1-6 alkyl optionally substituted by hydroxy, amino disubstituted by c1-6 alkyl, or phenyl optionally substituted as defined hereinbefore for R, when phenyl; and R9 and R10 together represent a bond, having pharmacological activity, a process and intermediates for their preparation, compositions containing them and their use in the treatment of mammals.

  式(I)化合物及其药学上可接受的盐类： 其中 G 与其结合的两个碳原子是噻吩基； R，是任选被一个或多个 C1-6 烷基、C1-6 烷氧基、C1-6 烷硫基、羟基、C2-7 烷酰基、卤代、三氟甲基、硝基、任选被一个或两个 C1-6 烷基或 C2- 7 烷酰基、氰基、氨基甲酰基或羧基取代的苯基；或任选被 C1-6 烷基或卤代取代的吡啶基； R6 是氢、C1-6 烷基或前面定义的任选被 R1 取代的苯基（当为苯基时）； R8 是氢、前文所述 R 的任选取代基之一（当为苯基时）或任选被前文定义的 R 的任选取代基取代的苯基（当为苯基时）；以及 R2 是氢，或任选被羟基、被 C1-6 烷基取代的氨基或任选被前文定义的 R 的任选取代基取代的苯基取代的 C1-6 烷基（当为苯基时）； R3 和 R4 共同代表一个键； R5 和 R7 共同代表一个键；以及 R9 是氢，R10 是羟基、C1-6 烷氧基或氨基，可任选被一个或两个独立选择的 C1-6 烷基取代，或被前文定义的苯基任选取代的 R（当为苯基时），或 Rg 和 R,o 共同代表键； 或 R2 和 R3 共同代表一个键； R4 和 R5 共同代表一个键；以及 R7 是氢、任选被羟基取代的 C1-6 烷基、被 c1-6 烷基取代的氨基或任选被前文定义的 R 取代的苯基（当为苯基时）； 和 R9 和 R10 共同代表一种具有药理活性的键、制备它们的工艺和中间体、含有它们的组合物以及它们在治疗哺乳动物中的用途。
• Condensation of Acetylenes with Esters. Mono Substituted Acetylenes and Alkyl Carbonates
  作者：W. J. Croxall、Marian F. Fegley

  DOI：10.1021/ja01172a034

  日期：1949.4
• Claisen bei v. Auwers, Justus Liebigs Annalen der Chemie, 1917, vol. 413, p. 274
  作者：Claisen bei v. Auwers

  DOI：——

  日期：——
• FORBES, IAN T.;JOHNSON, CHRISTOPHER N.;JONES, GRAHAM E.;LOUDON, JULIA;NIC+, J. MED. CHEM., 33,(1990) N, C. 2640-2645
  作者：FORBES, IAN T.、JOHNSON, CHRISTOPHER N.、JONES, GRAHAM E.、LOUDON, JULIA、NIC+

  DOI：——

  日期：——
• Claisen bei v. Auwers, Justus Liebigs Annalen der Chemie, 1917, vol. 413, p. 275
  作者：Claisen bei v. Auwers

  DOI：——

  日期：——