Phosphorsaeure-diisopropylester-<(dichlormethylen)-amid> | 6185-97-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: Phosphorsaeure-diisopropylester-<(dichlormethylen)-amid>
• 英文别名: N-Dichlormethylen-phosphonimidsaeure-diisopropylester；Phosphorsaeure-diisopropylester-dichlormethylenamid；Phosphorsaeure-diisopropylester-[(dichlormethylen)-amid]；1,1-dichloro-N-di(propan-2-yloxy)phosphorylmethanimine
• CAS: 6185-97-3
• 化学式: C₇H₁₄Cl₂NO₃P
• 分子量: 262.073
• InChiKey: GZOUVSSSUCYXPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.78
• 重原子数：
  14.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  47.89
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  吩噻嗪 、 Phosphorsaeure-diisopropylester-<(dichlormethylen)-amid> 以 甲苯 为溶剂， 反应 6.5h， 以50%的产率得到10-cyanophenothiazine
  参考文献：
  名称：

  Synthesis of cyanamides containing the phenothiazine fragment and their reactions with dialkyldithiophosphoric acids

  摘要：

  Reaction of phenothiazine with dialkoxyphosphoryl or chlorosulfenyl isocyanide dichlorides has given 10-cyanophenotiazine, which adds dialkyldithiophosphoric acids at the C = N bond. The addition products rearrange to 10-[N'-(dialkoxythiophosphoryl)thiocarbamoyl]phenothiazines, which are prone to decompose to dialkoxythiophosphoryl isothiocyanates and phenothiazine, or on treatment with alkyl halides in the presence of base afford stable S-alkyl-N-dialkoxythiophosphoryl-(10-phenothiazinyl)isothioformamides. The reaction between 10-cyanophenothiazine and an excess of dithiophosphoric acids also affords 10-thiocarbamoylphenothiazine and tetraalkyl trithiopyrophosphates. An x-ray diffraction examination of the molecular structure of S-methyl-N-diisopropoxythiophosphoryl-(10-phenothiazinyl)isothioformamide has shown it to possess the Z-configuration. The dihedral angle formed by the benzene rings of the phenothiazine fragment is 125.7-degrees. The products of the addition of dithiophosphoric acids to the C = N bond of N,N-bis[2'-(10-phenothiazinyl)-2'-oxoethyl]cyanamide, obtained from 10-(chloroacetyl)phenothiazine and NaNHCN, also isomerize by 1,3S --> N migration of the thiophosphoryl group. Subsequent heterocyclization, with elimination of phenothiazine, affords 2-(dialkoxythiophosphorylimino)-3- [2'-(10-phenothiazinyl)-2'-oxoethyl]thiazolidin-5-ones.

  DOI：

  10.1007/bf00965437
• 作为产物：
  描述：

  diisopropoxyphosphoryl isothiocyanate 在 氯 作用下， 生成 Phosphorsaeure-diisopropylester-<(dichlormethylen)-amid>
  参考文献：
  名称：

  Dichloromethyleneamides of dialkyl phosphates

  摘要：

  DOI：

  10.1007/bf00846514

文献信息

• Derkach,G.I.; Liptuga,N.I., Journal of general chemistry of the USSR, 1966, vol. 36, # 3, p. 480 - 484
  作者：Derkach,G.I.、Liptuga,N.I.

  DOI：——

  日期：——
• KAMALOV, R. M.;MAKAROV, G. M.;LITVINOV, I. A.;KATAEVA, O. N.;PUDOVIK, M. +, IZV. AN CCCP. CEP. XIM.,(1991) N, S. 451-460
  作者：KAMALOV, R. M.、MAKAROV, G. M.、LITVINOV, I. A.、KATAEVA, O. N.、PUDOVIK, M. +

  DOI：——

  日期：——