1,4-bis-methanethio-2-butyne | 26842-67-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1,4-bis-methanethio-2-butyne
• 英文别名: 1.4-Bis-(methylthio)-butin-2；2,7-dithia-4-octyne；1,4-bis-methylsulfanyl-but-2-yne；1,4-Bis(methylthio)-2-butyne；1,4-bis(methylsulfanyl)but-2-yne
• CAS: 26842-67-1
• 化学式: C₆H₁₀S₂
• 分子量: 146.277
• InChiKey: IKNSMUSTLJOSKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4-bis-methanethio-2-butyne 以 二氯甲烷 为溶剂， 生成 {Co2(μ-CH3SCH2CCCH2SCH3)(CO)4(μ-dppm)}
  参考文献：
  名称：

  Formation of novel bidentate and crown thioether ligands via dicobalt alkyne complexes

  摘要：

  通过[Co2(µ-HOCH2CCCH2OH)(CO)6]与一元硫醇和二元硫醇在 HBF4 存在下的反应，制备了能够与金属羰基配位的开链和环状硫代炔烃配合物。并通过 X 射线晶体学确定了 [Co2(CO)4(µ-dppm){µ-C2(CH2SMe)2}Mo(CO)4] 和 [Co2{µ-C2(CH2SCH2CH2)2S}(CO)6] 的结构；dppm = 双（二苯基膦）甲烷。

  DOI：

  10.1039/c39910000349

文献信息

• The synthesis of dimetallic thioalkyne complexes of cobalt and molybdenum
  作者：Stephen C. Bennett、Andrew Gelling、Michael J. Went

  DOI：10.1016/0022-328x(92)80229-q

  日期：1992.11

  Treatment of [Co2(mu-HOCR2'C=CCR2'OH)(CO)6] With an excess of RSH in the presence of HBF4.OEt2 affords [Co2(mu-RSCR2'C=CCR2'SR)(CO)6] (R'= H, R = Et, (n)Bu, (t)Bu, Ph, Bz; R'= Me, R = Et), which undergo substitution with bis(diphenylphosphino)methane (dppm) to give [Co2(mu-RSCR2'C=CCR2'SR)(mu-dppm)(CO)4]. Similar treatment of [MoCo(mu-HOCH2C=CCH2OH)(CO)5Cp] and [Mo2(mu-HOCH2C=CCH2OH)(CO)4Cp2] with EtSH gives [MoCo(mu-EtSCH2C=CCH2SEt)(CO)5-Cp] and [Mo2(mu-EtSCH2C=CCH2SEt)(CO)4Cp2], respectively. Reaction of [Co2(mu-HOCH2C=CCH2-OH)(CO)6] with a small excess of RSH (R=Et or Ph), ca. two equivalents, affords [Co2(mu-HOCH2C=CCH2-SR)(CO)6], while reaction with only one equivalent of EtSH additionally gives an ether-bridged system containing two hexacarbonyldicobalt units, [Co2(CO)6(HOCH2C= CCH2OCH2C=CCH2SEt)-Co2(CO)6]. Treatment of [Co2(mu-HOCH2C=CCH2SEt)(CO)6] with half an equivalent of HBF4.OEt2 affords [Co2(CO)6(EtSCH2C=CCH2OCH2C=CCH2SEt)Co2(CO)6]. Attempted preparation of mixed thioether complexes results in a mixture of products, and a mechanism is proposed for thioether scrambling. The IR, NMR and mass spectra of the new compounds are reported and discussed.
• Garst, M. E.; Arrhenius, P., Synthetic Communications, 1981, vol. 11, # 6, p. 481 - 488
  作者：Garst, M. E.、Arrhenius, P.

  DOI：——

  日期：——
• GARST M. E.; ARRHENIUS P., SYNTH. COMMUN., 1981, 11, NO 6, 481-487
  作者：GARST M. E.、 ARRHENIUS P.

  DOI：——

  日期：——
• Formation of novel bidentate and crown thioether ligands via dicobalt alkyne complexes
  作者：Andrew Gelling、John C. Jeffery、David C. Povey、Michael J. Went

  DOI：10.1039/c39910000349

  日期：——

  Open chain and cyclic thioalkyne complexes capable of ligating metal–carbonyl moieties are prepared by the reaction of [Co2(µ-HOCH2CCCH2OH)(CO)6] with mono- and di-thiols in the presence of HBF4 and the structures of [Co2(CO)4(µ-dppm)µ-C2(CH2SMe)2}Mo(CO)4] and [Co2µ-C2(CH2SCH2CH2)2S}(CO)6] have been established by X-ray crystallography; dppm = bis(diphenylphosphino)methane.

  通过[Co2(µ-HOCH2CCCH2OH)(CO)6]与一元硫醇和二元硫醇在 HBF4 存在下的反应，制备了能够与金属羰基配位的开链和环状硫代炔烃配合物。并通过 X 射线晶体学确定了 [Co2(CO)4(µ-dppm)µ-C2(CH2SMe)2}Mo(CO)4] 和 [Co2µ-C2(CH2SCH2CH2)2S}(CO)6] 的结构；dppm = 双（二苯基膦）甲烷。