5,6,7,8,10,11,12,13,19,20-decahydrodibenzo<1,4,11,8,14>-dioxathiadiazacycloheptadecine | 113814-31-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5,6,7,8,10,11,12,13,19,20-decahydrodibenzo<1,4,11,8,14>-dioxathiadiazacycloheptadecine
• 英文别名: 5,6,7,8,10,11,12,13,19,20-decahydrodibenzo[e,p][1,4,11,8,14]-dioxathiadiazacycloheptadecine；2,5-Dioxa-16-thia-13,19-diazatricyclo[19.4.0.06,11]pentacosa-1(25),6,8,10,21,23-hexaene
• CAS: 113814-31-6
• 化学式: C₂₀H₂₆N₂O₂S
• 分子量: 358.505
• InChiKey: JSTUDXUICNSOPX-UHFFFAOYSA-N

物化性质

• 熔点：
  125.5 °C(Solv: acetonitrile (75-05-8))
• 沸点：
  543.7±50.0 °C(Predicted)
• 密度：
  1.070±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  67.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  silver nitrate 、 5,6,7,8,10,11,12,13,19,20-decahydrodibenzo<1,4,11,8,14>-dioxathiadiazacycloheptadecine 在 LiClO₄ 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Macrocyclic ligand design. Effect of donor-set and ringsize variation on silver(I)/lead(II) discrimination within an extended series of dibenzo substituted rings

  摘要：

  The effect of systematic variation of the donor-atom set within dibenzo-substituted, 17- to 20-membered macrocycles on their ability to discriminate between silver(I) and lead(II) has been investigated. The log K values for the respective complexes. determined potentiometrically in 95% methanol (l = 0.1 mol dm(-3), NEt(4)ClO(4)), show that successive replacement of either nitrogen or oxygen heteroatoms by thioether donors leads to increasing affinity for silver(I) relative to lead(II), as does the incorporation of an 'aliphatic' NON or NSN donor sequence in the structure. For the 17-membered system incorporating a S2N2S-donor set, exceptional discrimination (of the order of 10(9)) was observed. The characterisation of selected complexes has included the crystal structure of the sliver perchlorate complex of the 17-membered ON2S2 macrocycle (L(17)). The silver ion in [AgL(17)]ClO4 has a very distorted trigonal-bipyramidal geometry with all metal to donor bond lengths appearing normal. The complex crystallises in the monoclinic space group P2(1)/n with lattice parameters a = 19.410(4), b = 9.602(2), c = 12.747(3) Angstrom, beta = 103.67(2)degrees and Z = 4.

  DOI：

  10.1039/dt9950001127
• 作为产物：
  描述：

  2-[2-(2-甲烷酰苯氧基)乙氧基]苯甲醛 在 Sodium tetraborate decahydrate 、 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 0.08h， 生成 5,6,7,8,10,11,12,13,19,20-decahydrodibenzo<1,4,11,8,14>-dioxathiadiazacycloheptadecine
  参考文献：
  名称：

  Baldwin, Darren; Duckworth, Paul A.; Erickson, Gary R., Australian Journal of Chemistry, 1987, vol. 40, # 11, p. 1861 - 1872

  摘要：

  DOI：

文献信息

• Dalton communications. Metal-ion recognition. Donor-set control of silver(I)/lead(II) discrimination using mixed-donor macrocyclic ligands
  作者：Kenneth R. Adam、Darren S. Baldwin、Alan Bashall、Leonard F. Lindoy、Mary McPartlin、Harold R. Powell

  DOI：10.1039/dt9940000237

  日期：——

  The systematic variation of the donor atom set in a dibenzo-substituted, 17-membered ring structure on the ability of the resultant systems to discriminate between silver(I) and lead(ll) has been performed; the compound containing a S2N2S-donor set yielded discrimination of the order of 10(9) in favour of silver(I).
• Baldwin, Darren; Lindoy, Leonard F.; Graddon, Douglas P., Australian Journal of Chemistry, 1988, vol. 41, # 9, p. 1347 - 1352
  作者：Baldwin, Darren、Lindoy, Leonard F.、Graddon, Douglas P.

  DOI：——

  日期：——
• Adam, Kenneth R.; Arshad, Shatira P. H.; Baldwin, Darren S., Inorganic Chemistry, 1994, vol. 33, # 6, p. 1194 - 1200
  作者：Adam, Kenneth R.、Arshad, Shatira P. H.、Baldwin, Darren S.、Duckworth, Paul A.、Leong, Anthony J.、Lindoy, Leonard F.、McCool, Brian J.、McPartlin, Mary、Tailor, Bhupesh A.、Tasker, Peter A.

  DOI：——

  日期：——
• BALDWIN, DARREN;DUCKWORTH, PAUL A.;ERICKSON, GARY R.;LINDOY, LEONARD F.;M+, AUSTRAL. J. CHEM., 40,(1987) N 11, 1861-1872
  作者：BALDWIN, DARREN、DUCKWORTH, PAUL A.、ERICKSON, GARY R.、LINDOY, LEONARD F.、M+

  DOI：——

  日期：——