ethanesulfonic anhydride | 13223-06-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: ethanesulfonic anhydride
• 英文别名: methyl methanesulfonic anhydride；Aethansulfonsaeure-anhydrid；ethanesulfonic acid-anhydride；ethylsulfonyl ethanesulfonate
• CAS: 13223-06-8
• 化学式: C₄H₁₀O₅S₂
• 分子量: 202.252
• InChiKey: CCJXQRNXZKSOGJ-UHFFFAOYSA-N

物化性质

• 熔点：
  35.0-45.0 °C
• 沸点：
  111-112 °C(Press: 2 Torr)
• 密度：
  1.414±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  94.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-amino-8-methoxy-3-methyl-1-propyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine 、 ethanesulfonic anhydride 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 2.0h， 以83%的产率得到4-ethylsulfonylamino-8-methoxy-3-methyl-1-propyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
  参考文献：
  名称：

  Discovery of Imidazo[1,5-a]pyrido[3,2-e]pyrazines as a New Class of Phosphodiesterase 10A Inhibitiors

  摘要：

  Novel imidazo[1,5-a]pyrido[3,2-e]pyrazines have been synthesized and characterized as both potent and selective phosphodiesterase 10A (PDE10A) inhibitors. For in vitro characterization, inhibition of PDE10A mediated cAMP hydrolysis was used and a QSAR model was established to analyze substitution effects. The outcome of this analysis was complemented by the crystal structure of PDE10A in complex with compound 49. Qualitatively new interactions between inhibitor and binding site were found, contrasting with previously published crystal structures of papaverine-like inhibitors. In accordance with the known antipsychotic potential of PDE10A inhibitors, MK-801 induced stereotypy and hyperactivity in rats were reversed by selected compounds. Thus, a promising compound class has been identified for the treatment of schizophrenia that could circumvent side effects connected with current therapies.

  DOI：

  10.1021/jm1002793
• 作为产物：
  描述：

  乙基磺酸 在 phosphorus pentoxide 作用下， 生成 ethanesulfonic anhydride
  参考文献：
  名称：

  Alkanesulfonic Acid Anhydrides¹

  摘要：

  DOI：

  10.1021/ja01634a005

文献信息

• Quinoxaline derivatives useful in therapy
  申请人：Pfizer Inc.

  公开号：US05852016A1

  公开（公告）日：1998-12-22

  Compounds of formula (I), wherein A represents N or CH; R.sup.1 and R.sup.2 independently represent C.sup.1-4 alkyl, halo or CF.sub.3 ; R.sup.3 represents C.sub.1-4 alkyl (optionally substituted), C.sub.3-7 cycloalkyl, CF.sub.3 or aryl; R.sup.4 represents H, C.sub.3-7 cycloalkyl or C.sub.1-6 alkyl (optionally substituted); and their pharmaceutically acceptable derivatives; are useful in the treatment of, inter alia, neurodogenerative disorders. ##STR1##

  式(I)的化合物，其中A代表N或CH；R^1和R^2独立地表示C^1-4烷基，卤素或CF3；R^3表示C^1-4烷基（可选取代），C^3-7环烷基，CF3或芳基；R^4表示H，C^3-7环烷基或C^1-6烷基（可选取代）；以及它们的药学上可接受的衍生物；可用于治疗神经退行性疾病等。
• N-(6,7-Dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-d-aspartate receptor antagonists for the treatment of pain
  作者：Christopher Deur、Arun K. Agrawal、Heidi Baum、John Booth、Susan Bove、Joan Brieland、Amy Bunker、Cleo Connolly、Joseph Cornicelli、JoAnn Dumin、Barry Finzel、Xinmin Gan、Sheila Guppy、Gregg Kamilar、Kenneth Kilgore、Pil Lee、Cho-Ming Loi、Zhen Lou、Mark Morris、Laurence Philippe、Sally Przybranowski、Frank Riley、Brian Samas、Brian Sanchez、Haile Tecle、Ziqiang Wang、Kathryn Welch、Michael Wilson、Karen Yates

  DOI：10.1016/j.bmcl.2007.05.083

  日期：2007.8

  It has been hypothesized that peripherally restricted NMDA receptor antagonists may be effective analgesics for osteoarthritis pain. A class of novel quinoxalinedione atropisomers, first discovered for an NMDA receptor antagonist program for the treatment of stroke, was evaluated and further optimized with the goal of finding peripherally restricted NMDA receptor antagonists. (c) 2007 Elsevier Ltd. All rights reserved.
• Kepner-Tregoe Decision Analysis as a Tool To Aid Route Selection. Part 3. Application to a Back-Up Series of Compounds in the PDK Project
  作者：Jeremy S. Parker、John F. Bower、Paul M. Murray、Bharti Patel、Pere Talavera

  DOI：10.1021/op8000355

  日期：2008.11.21

  Kepner-Tregoe Decision Analysis was used to rank 22 potential routes to a back-up series of compounds in the PDK project. The ten highest scoring routes were evaluated practically, affording four new synthetic sequences for preparing the target compounds.
• The Reaction of Disulfide with Dinitrogen Tetroxide
  作者：Norio Kunieda、Shigeru Oae

  DOI：10.1246/bcsj.41.233

  日期：1968.1
• Manufacture of sulfonic anhydrides
  申请人：STANDARD OIL CO

  公开号：US02489316A1

  公开（公告）日：1949-11-29