[ReO(η(3)-(SCH2CH2)2S)(C6H4F-4-CH2S)] | 220666-30-8

• 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: [ReO(η(3)-(SCH2CH2)2S)(C6H4F-4-CH2S)]
• CAS: 220666-30-8
• 化学式: C₁₁H₁₄FOReS₄
• 分子量: 495.701
• InChiKey: ITVKIXXVMCIJLA-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  2.56
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  ReO(2,2'-thiodiethanethiolato)(bromide) 、 4-氟苄基硫醇 在 NEt₃ 作用下， 以 乙腈 为溶剂， 以44%的产率得到[ReO(η(3)-(SCH2CH2)2S)(C6H4F-4-CH2S)]
  参考文献：
  名称：

  Synthesis and characterization of oxorhenium-`3 + 1' mixed-thiolate complexes. Crystal and molecular structures of [ReO{η3-(SCH2CH2)2S}(C6H4X-4-CH2S)] (X = F, Cl, Br, OMe) and of the pendant thiolate compounds [ReO{η3-(SCH2CH2)2S}(η1-SCH2CH2SCH2CH2SH)] and [ReO{η3-(SCH2CH2)2S}{η1-SCH2CH(OH)CH(OH)CH2SH}]

  摘要：

  The reaction of [(n-C4H9)(4)N][ReOBr4(OPPh3)] with bis(2-mercaptoethyl) sulfide produces [ReOBr{eta(3)-(SCH2CH2)(2)S}] (1), which can be reacted in turn to replace the labile bromine atom with various monodentate thiolate ligands. The reactions of [ReOBr(eta(3)- (SCH2CH2)(2)S}] (1) with (C(6)H(4)X4-CH2S) where X = Br, Cl, F and OMe in alcohol treated with triethylamine has led to the isolation of a series of rhenium complexes of the type [ReO{(SCH2CH2)(2)S}(C6H4X-4-CH2S)]. The reaction of [ReOCl3(DMS) (OPPh3)] with 2-mercaptoethyl sulfide and base results in the isolation of [ReO{eta(3)-(SCH2CH2)(2)S}(eta(1)-SCH2CH2SCH2CH2SH)] (6) while the reaction of 1 with dithioerythritol and triethylamine results in the formation of [ReO{eta(3)-(SCH2CH2)(2)S} {eta(1)-SCH2CH(OH)CH(OH)CH2SH}] (7), unusual examples of '3 + 1' coordination chemistry with a pendant thiol arm. The X-ray structures of [ReO(eta(3)-(SCH2CH2)(2)S}(C6H4X-4-CH2S)] (X=Br (2), Cl (3), F (4), and OMe (5)), [ReO(eta(3)-(SCH2(CH2)(2)S){eta(1)-SCH2CH2SCH2CH (6) and [ReO(eta(3)- (SCH2CH2)(2)S}{eta(1)-SCH2CH(OH)CH2CH(OH)CH2SH}] (7) have been determined. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00296-5