2,3,4-trimethyl-5-phenyl-1,3,2-oxazaphospholidine-2-thione | 57557-20-7

• 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: 2,3,4-trimethyl-5-phenyl-1,3,2-oxazaphospholidine-2-thione
• 英文别名: (4S)-2,3,4r-trimethyl-5c-phenyl-[1,3,2]oxazaphospholidine 2c-sulfide；(4S)-2,3,4r-trimethyl-5c-phenyl-[1,3,2]oxazaphospholidine 2t-sulfide；(4S)-2,3,4r-trimethyl-5t-phenyl-[1,3,2]oxazaphospholidine 2c-sulfide；(2R,4S,5S)-2,3,4-trimethyl-5-phenyl-1,3,2-oxazaphospholidine-2-thione；(4S)-2,3,4r-trimethyl-5c-phenyl-[1,3,2]oxazaphospholidine 2c-sulfide；N,O-(S)-methylphosphonothioyl-(-)-ephedrine
• CAS: 57557-20-7；57573-31-6；66213-06-7；66213-07-8；78608-79-4
• 化学式: C₁₁H₁₆NOPS
• 分子量: 241.294
• InChiKey: OQMABTVGYPVPTD-CHIMOYNISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.02
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  12.47
• 氢给体数：
  0.0
• 氢受体数：
  2.0

文献信息

• 1,3,2-Thiazaphospholidin-2-ones derived from ephedrine. Preparation and stereochemistry of ring-opening reactions
  作者：C. Richard Hall、Nancy E. Williams

  DOI：10.1039/p19810002746

  日期：——

  1,3,2-Thiazaphospholidin-2-ones are prepared by rearrangement of the corresponding 1,3,2-oxazaphospholidine-2-thiones. In both the phosphono- and phosphoro-series treatment with alkoxide results in P–N bond cleavage with inversion of configuration, while treatment with Grignard reagents results in P–S bond cleavage with retention of configuration. The products are consistent with a mechanism which

  通过重排相应的1,3,2-氧杂氮磷吡啶-2-硫酮来制备1,3,2-噻氮磷腈-2-酮。在膦酸酯系列和磷酸酯系列中，用醇盐处理均会导致P–N键断裂，且构型反转，而使用格氏试剂处理会导致P–S键断裂，且构型得以保留。该产物与涉及与环内氮相反的初始亲核攻击的机理是一致的。
• Novel methods for ester detoxication
  申请人：Cashman John

  公开号：US20070286846A1

  公开（公告）日：2007-12-13

  This invention relates to a method for detoxication of inorganic or organic esters including OP nerve agents, cocaine, and respective analogs. More specifically, this invention pertains to the treatment of potentially neurotoxic esters or other ester groups by elaborating a more effective hydrolytic enzyme for therapeutic application. The structures of the synthesized OP analogs are provided. This invention also provides a diagnostic method and an Array Biosensor for detecting OP agents in biological and environmental samples.

  这项发明涉及一种用于解毒无机或有机酯类化合物，包括OP神经毒剂、可卡因及其类似物的方法。更具体地说，这项发明涉及通过开发一种更有效的水解酶用于治疗应激性神经毒性酯类化合物或其他酯基团。提供了合成的OP类似物的结构。这项发明还提供了一种诊断方法和用于检测生物和环境样本中的OP类毒剂的阵列生物传感器。
• Cooper,D.B. et al., Journal of the Chemical Society. Perkin transactions I, 1977, p. 1969 - 1980
  作者：Cooper,D.B. et al.

  DOI：——

  日期：——
• HALL R.; INCH T. D., POL. J. CHEM., 1980, 54, NO 3, 489-493
  作者：HALL R.、 INCH T. D.

  DOI：——

  日期：——