thioacetic acid S-(3-acetylsulfanyl-2-oxo-propyl) ester

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 英文名称: thioacetic acid S-(3-acetylsulfanyl-2-oxo-propyl) ester
• 英文别名: S-(3-acetylsulfanyl-2-oxopropyl) ethanethioate
• 化学式: C₇H₁₀O₃S₂
• 分子量: 206.287
• InChiKey: QEZZQEJITSXITD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  tetrabutylammonium thioacetate 、 1,3-二氯丙酮 以 四氢呋喃 为溶剂， 以80%的产率得到thioacetic acid S-(3-acetylsulfanyl-2-oxo-propyl) ester
  参考文献：
  名称：

  使用乙烯基Pictet-Spengler环化反应制备六氢苯并[f]异喹啉。

  摘要：

  使用活化的醛，酮和炔进行了乙烯基的Pictet-Spengler环化反应，以制备各种取代的六氢苯并[f]异喹啉。利用一组独特的条件来实现对酸敏感的亲电试剂的有效环化。

  DOI：

  10.1021/ol006533u

文献信息

• COMPOUND HAVING HISTONE DEACETYLASE-INHIBITING ACTIVITY, AND PHARMACEUTICAL COMPOSITION COMPRISING THE COMPOUND AS AN ACTIVE INGREDIENT
  申请人：Nishino Norikazu

  公开号：US20090275728A1

  公开（公告）日：2009-11-05

  A novel compound having histone deacetylase-inhibiting activity which is a cyclic tetrapeptide derivative represented by the general formula (1) given below and a pharmaceutical composition comprising such compound as an active ingredient. (In the formula, the cyclic tetrapeptide moiety has a known structure; R 1 and R 2 each independently represents an alkylene group containing 1 to 6 carbon atoms, which may be branched; X represents a group or bond selected from among —CO—, —O—, —S— or —SO—; Y represents a hydrogen or halogen atom, a phenyl group (including a substituted form), a pyridyl group (including a substituted form), an alkyl group (including a halogen-substituted form; hereinafter the same shall apply) containing 1 to 6 carbon atoms, an alkyloxy group containing 1 to 6 carbon atoms, an alkylcarbonyl group containing 1 to 6 carbon atoms, an alkyloxycarbonyl group containing 1 to 6 carbon atoms, an alkylthio group containing 1 to 6 carbon atoms, an alkylthiocarbonyl group containing 1 to 6 carbon atoms or a mono- or dialkylamino group containing 1 to 6 carbon atoms; when Y is a phenyl group (including a substituted form) or a pyridyl group (including a substituted form), it may form a further cyclic structure bound to R 2 .)
• US8158587B2
  申请人：——

  公开号：US8158587B2

  公开（公告）日：2012-04-17
• Preparation of Hexahydrobenzo[<i>f</i>]isoquinolines Using a Vinylogous Pictet−Spengler Cyclization
  作者：Richard R. Cesati、John A. Katzenellenbogen

  DOI：10.1021/ol006533u

  日期：2000.11.1

  A vinylogous Pictet-Spengler cyclization has been carried out using activated aldehydes, ketones, and alkynes to prepare a variety of substituted hexahydrobenzo[f]isoquinolines. A unique set of conditions was utilized to effect efficient cyclization with acid-sensitive electrophiles.

  使用活化的醛，酮和炔进行了乙烯基的Pictet-Spengler环化反应，以制备各种取代的六氢苯并[f]异喹啉。利用一组独特的条件来实现对酸敏感的亲电试剂的有效环化。