<4-Acetamino-phenyl>-hydroxymethyl-sulfon | 949-44-0

• 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: <4-Acetamino-phenyl>-hydroxymethyl-sulfon
• 英文别名: p-Acetamido-phenyl-hydroxymethyl-sulfon；acetic acid-(4-hydroxymethanesulfonyl-anilide)；Essigsaeure-(4-hydroxymethansulfonyl-anilid)；N-{4-[(Hydroxymethyl)sulfonyl]phenyl}acetamide；N-[4-(hydroxymethylsulfonyl)phenyl]acetamide
• CAS: 949-44-0
• 化学式: C₉H₁₁NO₄S
• mdl: MFCD00450492
• 分子量: 229.257
• InChiKey: BEVSOUGDVGTEQD-UHFFFAOYSA-N

物化性质

• 熔点：
  161-162 °C(Solv: ethanol (64-17-5))
• 沸点：
  539.8±50.0 °C(Predicted)
• 密度：
  1.416±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  <4-Acetamino-phenyl>-hydroxymethyl-sulfon 在 盐酸 、 乙醇 作用下， 生成 (4-methyl-thiazol-2-yl)-sulfanilylmethyl-amine
  参考文献：
  名称：

  Feldman; Gawrilowa, Zhurnal Obshchei Khimii, 1952, vol. 22, p. 286,290;engl.Ausg.S.347,350

  摘要：

  DOI：
• 作为产物：
  描述：

  聚合甲醛 、 对乙酰氨基苯亚磺酸 在 水 作用下， 生成 <4-Acetamino-phenyl>-hydroxymethyl-sulfon
  参考文献：
  名称：

  Bredereck; Baeder, Chemische Berichte, 1954, vol. 87, p. 129,130

  摘要：

  DOI：

文献信息

• Misutsch et al., Zhurnal Obshchei Khimii, 1957, vol. 27, p. 189,191
  作者：Misutsch et al.

  DOI：——

  日期：——
• N-Hydroxylsulfonamide Derivatives as New Physiologically Useful Nitroxyl Donors
  申请人：Toscano John P.

  公开号：US20110306614A1

  公开（公告）日：2011-12-15

  The invention relates to N-hydroxysulfonamide derivatives that donate nitroxyl (HNO) under physiological conditions and are useful in treating and/or preventing the onset and/or development of diseases or conditions that are responsive to nitroxyl therapy, including heart failure and ischemia/reperfusion injury. Novel N-hydroxysulfonamide derivatives release NHO at a controlled rate under physiological conditions, and the rate of HNO release is modulated by varying the nature and location of functional groups on the N-hydroxysulfonamide derivatives.
• N-HYDROXYLSULFONAMIDE DERIVATIVES AS NEW PHYSIOLOGICALLY USEFUL NITROXYL DONORS
  申请人：Cardioxyl Pharmaceuticals, Inc.

  公开号：US20140336396A1

  公开（公告）日：2014-11-13

  The invention relates to N-hydroxysulfonamide derivatives that donate nitroxyl (HNO) under physiological conditions and are useful in treating and/or preventing the onset and/or development of diseases or conditions that are responsive to nitroxyl therapy, including heart failure and ischemia/reperfusion injury. Novel N-hydroxysulfonamide derivatives release NHO at a controlled rate under physiological conditions, and the rate of HNO release is modulated by varying the nature and location of functional groups on the N-hydroxysulfonamide derivatives.
• US9221780B2
  申请人：——

  公开号：US9221780B2

  公开（公告）日：2015-12-29
• US9487498B2
  申请人：——

  公开号：US9487498B2

  公开（公告）日：2016-11-08