10-(3-dimethylaminopropyl)phenothiazine sulfoxide hydrochloride | 64029-82-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 10-(3-dimethylaminopropyl)phenothiazine sulfoxide hydrochloride
• 英文别名: Promazine sulfoxide hydrochloride；promazine-5-oxide hydrochloride；dimethyl-[3-(5-oxo-5H-5λ⁴-phenothiazin-10-yl)-propyl]-amine; monohydrochloride；N,N-Dimethyl-10H-phenothiazine-10-propanamine 5-oxide monohydrochloride；N,N-dimethyl-3-(5-oxophenothiazin-10-yl)propan-1-amine;hydrochloride
• CAS: 64029-82-9
• 化学式: C₁₇H₂₀N₂OS*ClH
• 分子量: 336.886
• InChiKey: KRRSKLLEVCBCAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.68
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  53.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  盐酸丙嗪 在 双氧水 作用下， 以 乙醇 为溶剂， 生成 10-(3-dimethylaminopropyl)phenothiazine sulfoxide hydrochloride
  参考文献：
  名称：

  Synthesis and Molecular Structure of Zwitterionic Complexes of Phenothiazine-5-oxide Derivatives Coordinated with Cobalt(II) and Copper(II) Ions.

  摘要：

  本文描述了 Co(II)CI2 和 Cu(II)Cl2 与 2-氯-10-(3-二甲基氨基丙基)吩噻嗪-5-氧化物盐酸盐（cpz(O)HCl）及三种相关化合物配合物的合成和表征。通过单晶 X 射线衍射分析，确定了 [CoCl3cpz(O)H] (1) 和 [CuCl3 cpz(O)H] (2) 复合物的晶体结构。1 结晶于单斜空间群 P21/c，a=8.150(1)，b=17.763(2)，c=14.630(2) Å，β=103.93(1)°，V=2055.8(3) Å3，Z=4。2 结晶于单斜空间群 P21/c，a=8.141(1)，b=17.175(4)，c=14.810(3) Å，β=103.27(1)°，V=2015.5(7) Å3，Z=4。两个配合物中的金属原子均以四面体几何形状配位，两个配合物以头尾相接的方式排列，形成一个二聚体。

  DOI：

  10.1248/cpb.41.1691

文献信息

• Mild and Selective Oxygenation of Sulfides to Sulfoxides and Sulfones by Perfluoro-cis-2,3-dialkyloxaziridines
  作者：Darryl D. DesMarteau、Viacheslav A. Petrov、Vittorio Montanari、Massimo Pregnolato、Giuseppe Resnati

  DOI：10.1021/jo00089a020

  日期：1994.5

  Sulfides are oxidized to sulfoxides by stoichiometric amounts of perfluoro-cis-2,3-dialkyloxaziridines 2. The reactions proceed at -40 degrees C with nearly complete selectivity and very good yields. Sulfoxides are also oxidized easily by 2 under mild conditions to corresponding sulfones. The oxidation of some bioactive sulfides (promazine, albendazole, biotin, and others) is also reported.
• Synthesis and Molecular Structure of Zwitterionic Complexes of Phenothiazine-5-oxide Derivatives Coordinated with Cobalt(II) and Copper(II) Ions.
  作者：Hiroko NAKAGAWA、Junko CHIKUMA、Chun-Guang LI、Koh-ichi YAMADA、Hiroshi KAWAZURA

  DOI：10.1248/cpb.41.1691

  日期：——

  The synthesis and characterization of Co(II)CI2 and Cu(II)Cl2 complexes with 2-chloro-10-(3-dimethylaminopropyl)phenothiazine-5-oxide hydrochloride (cpz(O)HCl) and three related compounds are described. The crystal structures of the complexes [CoCl3cpz(O)H] (1) and [CuCl3 cpz(O)H] (2) were determined by single-crystal X-ray diffraction analyses. 1 crystallizes in the monoclinic space group P21/c with a=8.150(1), b=17.763(2), c=14.630(2) Å, β=103.93(1)°, V=2055.8(3) Å3, and Z=4. 2 crystallizes in the monoclinic space group P21/c with a=8.141(1), b=17.175(4), c=14.810(3) Å, β=103.27(1)°, V=2015.5(7) Å3, and Z=4. The metal atoms in both complexes are coordinated in a tetrahedral geometry and the two complexes are arranged in a head-to-tail manner to form a dimer.

  本文描述了 Co(II)CI2 和 Cu(II)Cl2 与 2-氯-10-(3-二甲基氨基丙基)吩噻嗪-5-氧化物盐酸盐（cpz(O)HCl）及三种相关化合物配合物的合成和表征。通过单晶 X 射线衍射分析，确定了 [CoCl3cpz(O)H] (1) 和 [CuCl3 cpz(O)H] (2) 复合物的晶体结构。1 结晶于单斜空间群 P21/c，a=8.150(1)，b=17.763(2)，c=14.630(2) Å，β=103.93(1)°，V=2055.8(3) Å3，Z=4。2 结晶于单斜空间群 P21/c，a=8.141(1)，b=17.175(4)，c=14.810(3) Å，β=103.27(1)°，V=2015.5(7) Å3，Z=4。两个配合物中的金属原子均以四面体几何形状配位，两个配合物以头尾相接的方式排列，形成一个二聚体。