2,2-bis(ethylthio)-3-phenylpropanoic acid | 71535-49-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 2,2-bis(ethylthio)-3-phenylpropanoic acid
• 英文别名: 2,2-Bis(ethylsulfanyl)-3-phenylpropanoic acid
• CAS: 71535-49-4
• 化学式: C₁₃H₁₈O₂S₂
• 分子量: 270.417
• InChiKey: RDTPRGUSPTUSAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  87.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Glyoxylsaeure-diaethylmercaptal 、 溴甲苯 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以68%的产率得到2,2-bis(ethylthio)-3-phenylpropanoic acid
  参考文献：
  名称：

  7α- and 17α-Substituted estrogens containing tridentate tricarbonyl rhenium/Technetium complexes: synthesis of estrogen receptor imaging agents and evaluation using microPET with technetium-94m

  摘要：

  To develop technetium and rhenium-labeled imaging agents for estrogen receptor (ER) positive breast tumors, we have prepared tridentate metal tricarbonyl chelates substituted at the 7alpha- and 17alpha-positions of estradiol. Some of the Re(CO)(3) conjugates have high binding for the ER in vitro. The in vivo biodistribution of the highest affinity of these novel metal tricarbonyl conjugates, prepared as the Tc-94m labeled analogue, was evaluated by tissue dissection and microPET imaging. Although target tissue-selective uptake was not apparent, it is notable that microPET imaging identified the stomach as a major site of activity deposition, a site that might have been missed by standard tissue distribution studies. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.09.004

文献信息

• New α-keto acid synthon; alkylation of the potassium dianion of bis(ethylthio)acetic acid
  作者：Gordon S. Bates

  DOI：10.1039/c39790000161

  日期：——

  The easily prepared, thermally stable, tetrahydrofuran-soluble potassium dianion of the glyoxylic acid derivative (7) was readily alkylated by halides, tosylates, epoxides, and N-tosyl-aziridines.

  乙醛酸衍生物（7）的易于制备的，热稳定的，可溶于四氢呋喃的二价钾二阴离子易于被卤化物，甲苯磺酸盐，环氧化物和N-甲苯磺酰基-氮丙啶烷基化。
• Bates, Gordon S.; Ramaswamy, S., Canadian Journal of Chemistry, 1980, vol. 58, p. 716 - 722
  作者：Bates, Gordon S.、Ramaswamy, S.

  DOI：——

  日期：——
• BATES G. S.; RAMASWAMY S., CAN. J. CHEM., 1980, 58, NO 7, 716-722
  作者：BATES G. S.、 RAMASWAMY S.

  DOI：——

  日期：——
• BATES G. S., J. CHEM. SOC. CHEM. COMMUN., 1979, NO 4, 161-163
  作者：BATES G. S.

  DOI：——

  日期：——