S-(3'-oxopentyl) thioacetate | 133966-47-9

• 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: S-(3'-oxopentyl) thioacetate
• 英文别名: 1-(Acetylthio)-3-pentanone；1-acetylsulfanyl-pentan-3-one；1-Acetylmercapto-pentan-3-on；1-Acetylmercapto-butan-3-on；S-(3-oxopentyl) ethanethioate
• CAS: 133966-47-9
• 化学式: C₇H₁₂O₂S
• 分子量: 160.237
• InChiKey: BMVQOBZIJKGBSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  59.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-(3'-oxopentyl) thioacetate 在 N-氯代丁二酰亚胺 、 lithium aluminium tetrahydride 、 三氟化硼乙醚 作用下， 以 四氯化碳 、 乙醚 、 二氯甲烷 为溶剂， 反应 19.25h， 生成 (2S,9R)-6-Chloro-2-ethyl-9-hexyl-[1,5]oxathionane 5,5-dioxide
  参考文献：
  名称：

  中环醚通过环的膨胀-环的收缩：合成了香豆素。

  摘要：

  [反应：见正文]已经开发了一种新的中环醚结构的通用方法。这涉及到卤代-O，S-乙缩醛的扩环，随后是Ramburg-Bäcklund的环收缩反应，同时伴随着硫原子的挤出。该方法已经用于合成顺-和反-月桂聚糖。

  DOI：

  10.1021/ol0262946
• 作为产物：
  描述：

  1-氯-3-戊酮 在 sodium benzoate 、 水 作用下， 生成 S-(3'-oxopentyl) thioacetate
  参考文献：
  名称：

  Arbusow; Wolkow, Zhurnal Obshchei Khimii, 1959, vol. 29, p. 3279,3284; engl. Ausg. S. 3242, 3246

  摘要：

  DOI：

文献信息

• Dye-sensitized photooxygenation of 2,3-dihydrothiophenes: formation of stable 1,2-dioxetanes from 4,5-dialkyl-substituted derivatives
  作者：Klaus Gollnick、Karen Knutzen-Mies

  DOI：10.1021/jo00012a041

  日期：1991.6

  Singlet oxygen reacts with 4,5-dimethyl- (1a), 4-ethyl-5-methyl- (1b), and 4-isopropyl-5-methyl-2,3-dihydrothiophene (1c) to give 1,2-dioxetanes 2a-c in high yields (> 90%). 2a-c represent the first examples of sulfur-substituted dioxetanes that could be isolated. Less than 5% of allylic hydroperoxides 3a, 4a, and 3b, identified by their H-1 NMR spectra, and less than 5% of S-oxides 5a-c were formed in competing ene reactions and sulfoxide-producing steps, respectively. Due to its decreased rigidity, dioxetane 2a is less stable than its oxygen counterpart. Increased flexibility of dioxetanes derived from dihydrothiophenes and dihydrothiopyrans, as compared to those derived from dihydrofurans and dihydropyrans, causes dioxetanes 9 and 16, obtained from 4-carbomethoxy-5-methyl-2,3-dihydrothiophene (8) and 5,6-dimethyl-3,4-dihydro-2H-thiopyran (14), to cleave into dicarbonyl compounds readily at low temperatures. Sulfur-substituted allylic hydroperoxides are also less stable than their oxygen counterparts. Formation of the expected endocyclic allylic hydroperoxides 3a, 3b, and 10 is inferred from the appearance of their H2O2 elimination products, thiophenes 7a, 7b and 13, respectively.
• Methods for Identifying Compounds that Modulate Enzymatic Activities by Employing Covalently Bonded Target-Extender Complexes with Ligand Candidates
  申请人：Erianson Daniel A.

  公开号：US20080220536A1

  公开（公告）日：2008-09-11

  The present invention relates to the use of “tethering” to identify compounds that modulate enzymatic activity.
• MULTIMERIC PEPTIDE CONJUGATES AND USES THEREOF
  申请人：Demeule Michel

  公开号：US20120141416A1

  公开（公告）日：2012-06-07

  The present invention relates to multimeric (e.g., dimeric, trimeric) forms of peptide vectors that are capable of crossing the blood-brain barrier (BBB) or efficiently entering particular cell types. These multimeric peptide vectors, when conjugated to agents (e.g., therapeutic agents) are capable of transporting the agents across the BBB or into particular cell types. These compounds are therefore particularly useful in the treatment of neurological diseases.
• US7214487B2
  申请人：——

  公开号：US7214487B2

  公开（公告）日：2007-05-08
• US9161988B2
  申请人：——

  公开号：US9161988B2

  公开（公告）日：2015-10-20