S-(2-methoxy)ethyl benzothioate | 959247-23-5

• 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: S-(2-methoxy)ethyl benzothioate
• 英文别名: Benzoic,acid,thio-,S-(2-methoxy-ethyl)ester；S-(2-methoxyethyl) benzenecarbothioate
• CAS: 959247-23-5
• 化学式: C₁₀H₁₂O₂S
• 分子量: 196.27
• InChiKey: NEBGFCMSWBPAMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  S-(2-methoxy)ethyl benzothioate 、 二正辛基二硫 在 RhCl(PPh₃)3 作用下， 以 various solvent(s) 为溶剂， 反应 1.5h， 以48%的产率得到辛硫苯酯
  参考文献：
  名称：

  Rhodium-catalyzed alkylthio exchange reaction of thioester and disulfide

  摘要：

  The Wilkinson complex RhCl(PPh3)(3) catalyzes equilibrating alkylthio exchange reaction of thioesters with disulfides. The treatment of a thioester and a dialkyl disulfide in refluxing diethyl ketone in the presence of RhCl(PPh3)(3) (2.5 mol %) for 1.5 h gave an alkylthio exchanged thioester. The reaction of S-methyl ester was conducted shifting the equilibrium by removing volatile dimethyl disulfide. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.01.109
• 作为产物：
  描述：

  bis(2-methoxyethyl) disulfide 、 S-cyclohexyl benzothioate 在 [RhCl(PPh₃)] 作用下， 以 various solvent(s) 为溶剂， 反应 1.5h， 以87%的产率得到S-(2-methoxy)ethyl benzothioate
  参考文献：
  名称：

  Rhodium-catalyzed alkylthio exchange reaction of thioester and disulfide

  摘要：

  The Wilkinson complex RhCl(PPh3)(3) catalyzes equilibrating alkylthio exchange reaction of thioesters with disulfides. The treatment of a thioester and a dialkyl disulfide in refluxing diethyl ketone in the presence of RhCl(PPh3)(3) (2.5 mol %) for 1.5 h gave an alkylthio exchanged thioester. The reaction of S-methyl ester was conducted shifting the equilibrium by removing volatile dimethyl disulfide. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.01.109

文献信息

• CONJUGATES AND COMPOSITIONS FOR CELLULAR DELIVERY
  申请人：Vargeese Chandra

  公开号：US20090264636A1

  公开（公告）日：2009-10-22

  This invention features conjugates, degradable linkers, compositions, methods of synthesis, and applications thereof, including cholesterol, folate, galactose, galactosamine, N-acetyl galactosamine, PEG, phospholipid, peptide and human serum albumin (HSA) derived conjugates of biologically active compounds, including antibodies, antivirals, chemotherapeutics, peptides, proteins, hormones, nucleosides, nucleotides, non-nucleosides, and nucleic acids including enzymatic nucleic acids, DNAzymes, allozymes, antisense, dsRNA, siNA, siRNA, triplex oligonucleotides, 2,5-A chimeras, decoys and aptamers.

  本发明涉及共轭物、可降解连接剂、组合物、合成方法及其应用，包括胆固醇、叶酸、半乳糖、半乳氨酸、N-乙酰半乳氨酸、PEG、磷脂、肽和人血清白蛋白（HSA）衍生的生物活性化合物共轭物，包括抗体、抗病毒药物、化学治疗药物、肽、蛋白质、激素、核苷、核苷酸、非核苷类化合物和核酸，包括酶促核酸、DNA酶、异酶、反义、dsRNA、siNA、siRNA、三链寡核苷酸、2,5-A嵌合体、假靶和适配体。
• Conjugates and Compositions for Cellular Delivery
  申请人：Matulic-Adamic Jasenka

  公开号：US20120202983A1

  公开（公告）日：2012-08-09

  This invention features conjugates, compositions, methods of synthesis, and applications thereof, including folate derived conjugates of nucleosides, nucleotides, non-nucleosides, and nucleic acids including enzymatic nucleic acids and antisense nucleic acid molecules.

  本发明涉及共轭物、组合物、合成方法及其应用，包括叶酸衍生物与核苷、核苷酸、非核苷和核酸（包括酶促核酸和反义核酸分子）的共轭物，以及它们的应用。
• Conjugates and compositions for cellular delivery
  申请人：Sirna Therapeutics, Inc.

  公开号：EP2415486A2

  公开（公告）日：2012-02-08

  This invention features conjugates, degradable linkers, compositions, methods of synthesis, and applications thereof, including folate, galactose, galactosamine, N-acetyl galactosamine, PEG, phospholipid, peptide and human serum albumin (HAS) derived conjugates of biologically active compounds, including antibodies, antivirals, chemotherapeutics, peptides, proteins, hormones nucleosides, nucleotide, non-nucleosides, and nucleic acids including enzymatic nucleic acids, DNAzymes, allozymes, antisense, dsRNA, siRNA, triplex oligonucleotides, 2,5-A chimeras, decoys and aptamers.

  本发明的特点是生物活性化合物的共轭物、可降解连接体、组合物、合成方法及其应用，包括叶酸、半乳糖、半乳糖胺、N-乙酰半乳糖胺、PEG、磷脂、肽和人血清白蛋白（HAS）衍生的共轭物、包括抗体、抗病毒药物、化疗药物、肽、蛋白质、激素 核苷酸、核苷酸、非核苷酸和核酸，包括酶核酸、DNA 酶、同工酶、反义核酸、dsRNA、siRNA、三重寡核苷酸、2,5-A 嵌合体、诱饵和适配体。
• RNA INTERFERENCE MEDIATED INHIBITION OF GENE EXPRESSION USING CHEMICALLY MODIFIED SHORT INTERFERING NUCLEIC ACID (siNA)
  申请人：Sirna Therapeutics, Inc.

  公开号：EP1627061B1

  公开（公告）日：2009-08-12
• RNA interference mediated inhibition of gene expression using chemically modified short interfering nucleic acid (siNA)
  申请人：McSwiggen James

  公开号：US20070004667A1

  公开（公告）日：2007-01-04

  The present invention concerns methods and reagents useful in modulating gene expression in a variety of applications, including use in therapeutic, diagnostic, target validation, and genomic discovery applications. Specifically, the invention relates to synthetic chemically modified small nucleic acid molecules, such as short interfering nucleic acid (siNA), short interfering RNA (siRNA), double-stranded RNA (dsRNA), micro-RNA (miRNA), and short hairpin RNA (shRNA) molecules capable of mediating RNA interference (RNAi) against target nucleic acid sequences. The small nucleic acid molecules are useful in the treatment of any disease or condition that responds to modulation of gene expression or activity in a cell, tissue, or organism.