p-toluenesulfonic-2-d-isopropyl ester | 114165-54-7

• 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: p-toluenesulfonic-2-d-isopropyl ester
• 英文别名: p-Toluol-sulfonsaeure-<2-deuterio-isopropylester>；(2-d)-Isopropyltosylat；2-Deuteriopropan-2-yl 4-methylbenzenesulfonate
• CAS: 114165-54-7
• 化学式: C₁₀H₁₄O₃S
• 分子量: 215.277
• InChiKey: SDQCGKJCBWXRMK-BNEYPBHNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-溴苯甲醚 、 p-toluenesulfonic-2-d-isopropyl ester 在 magnesium 作用下， 生成 4-(1-deuterio-1-methylethyl)anisole
  参考文献：
  名称：

  DEUTERATED AMLEXANOX

  摘要：

  本技术涉及氘代阿莫来昔诺技术，特别是但不限于包含氘代阿莫来昔诺的组合物、制备氘代阿莫来昔诺的方法以及氘代阿莫来昔诺的用途。

  公开号：

  US20140329848A1
• 作为产物：
  描述：

  2-丙醇-2-d1 、 对甲苯磺酰氯 在 吡啶 作用下， 生成 p-toluenesulfonic-2-d-isopropyl ester
  参考文献：
  名称：

  DEUTERATED AMLEXANOX

  摘要：

  本技术涉及氘代阿莫来昔诺技术，特别是但不限于包含氘代阿莫来昔诺的组合物、制备氘代阿莫来昔诺的方法以及氘代阿莫来昔诺的用途。

  公开号：

  US20140329848A1

文献信息

• [EN] HEMOGLOBIN MODIFIER COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS MODIFICATEURS D'HÉMOGLOBINE ET LEURS UTILISATIONS
  申请人：FRONTHERA U S PHARMACEUTICALS LLC

  公开号：WO2017218960A1

  公开（公告）日：2017-12-21

  Described herein are compounds, including pharmaceutically acceptable salts thereof, methods of making such compounds, pharmaceutical compositions comprising such compounds, and methods of using such compounds to treat, prevent or diagnose blood-based diseases, disorders or conditions.

  本文描述了化合物，包括其药用可接受的盐，制备这些化合物的方法，包含这些化合物的药物组合物，以及使用这些化合物治疗、预防或诊断基于血液的疾病、紊乱或状况的方法。
• Photooxidation of Alkyl 4-Nitrophenyl Sulfides and Sulfoxides. Observation of Oxidative C-S Bond Cleavage and Rearrangement Reactions
  作者：Daniel J. Pasto、Francois Cottard、Laurent Jumelle

  DOI：10.1021/ja00099a015

  日期：1994.10

  Alkyl 4-nitrophenyl sulfides and sulfoxides undergo a self-photoinduced, singlet oxygen oxidation to produce a variety of products, including sulfonates and carbonyl compounds formed by the oxidative cleavage of the C-S bond of the sulfides and sulfoxides. Structural rearrangements are observed in the resulting carbonyl compounds formed in the oxidative cleavage of the C-S bond in the tert-amyl and 2-phenylethyl sulfides. An overall mechanism is proposed which involves the formation of peroxysulfoxides and peroxysulfones which undergo heterolytic C-S bond cleavage to form ion pairs which recombine to form persulfenates or persulfinates which then undergo photo- and/or thermally-induced homolytic O-O bond cleavage to form alkoxy and sulfinyl or sulfonyl radicals. The alkoxy radicals undergo beta-scission, disproportionation, or recombination with the sulfonyl radical to form the observed products. These C-S oxidative cleavage reactions have only been rarely observed in the earlier studies on the singlet oxygen oxidation studies of dialkyl sulfides, and are attributed, in part, to the presence of the 4-nitro group on the aromatic ring which greatly affects the susceptibility of the sulfur atom of the sulfides and sulfoxides toward nucleophilic attack, and on the reactivity of the peroxysulfoxides and peroxysulfones toward heterolytic cleavage of the O-S bond.
• DEUTERATED DIAMINOPYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH COMPOUNDS
  申请人：Suzhou Zelgen Biopharmaceuticals Co. Ltd.

  公开号：EP2990405B1

  公开（公告）日：2019-07-17