6¹,6²-Di-O-methylsulfonyl-cG₇ permethylate | 139622-77-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6¹,6²-Di-O-methylsulfonyl-cG₇ permethylate
• 英文别名: 6(A),6(B)-di-O-methylsulfonyl-2(A),2(B),2(C),2(D),2(E),2(F),2(G),3(A),3(B),3(C),3(D),3(E),3(F),3(G),6(C),6(D),6(E),6(F),6(G)-nonadeca-O-methyl-β-CD；[(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-5,20,25,30,35-pentakis(methoxymethyl)-15-(methylsulfonyloxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methyl methanesulfonate
• CAS: 139622-77-8
• 化学式: C₆₃H₁₁₂O₃₉S₂
• 分子量: 1557.69
• InChiKey: LIRMBHDSSXFDSH-MWDJDSKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.6
• 重原子数：
  104
• 可旋转键数：
  30
• 环数：
  21.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  408
• 氢给体数：
  0
• 氢受体数：
  39

反应信息

• 作为反应物：
  描述：

  6¹,6²-Di-O-methylsulfonyl-cG₇ permethylate 在 18-冠醚-6 、 H₂₄Na₂O₁₂S 作用下， 以 丙酮 为溶剂， 以88%的产率得到6(A),6(B)-dideoxy-6(A),6(B)-epithio-2(A),2(B),2(C),2(D),2(E),2(F),2(G),3(A),3(B),3(C),3(D),3(E),3(F),3(G),6(C),6(D),6(E),6(F),6(G)-nonadeca-O-methyl-β-CD
  参考文献：
  名称：

  Armspach, Dominique; Matt, Dominique; Toupet, Loic, Angewandte Chemie - International Edition, 2009, vol. 48, p. 4555 - 4558

  摘要：

  DOI：
• 作为产物：
  描述：

  甲基磺酰氯 、 dihydroxy-6A,6B-permethylated β-CD 在 吡啶 作用下， 以69.5%的产率得到6¹,6²-Di-O-methylsulfonyl-cG₇ permethylate
  参考文献：
  名称：

  Preparation of di-O-triphenylmethyl-(trityl)-cyclomalto-hexaoses and -cyclomaltoheptaoses and characterization of three positional isomers of each by the “hex-5-enose degradation”

  摘要：

  Regioisomeric 6l,6n-di-O-trityl-cyclomaltohexaoses (cG6s) or -cyclomaltoheptaoses (cG7s) were prepared by the reaction of cyclomaltohexaose (1, cG6) or cylomaltoheptaose (5, cG7) with chlorotriphenylmethane methane in pyridine and isolation by h.p.l.c. The regiochemical determination of each three ditrityl-substituted substituted derivatives has been accomplished by the "hex-5-enose degradation", followed by measurement of their f.a.b.-mass spectra.

  DOI：

  10.1016/0008-6215(92)80001-h

文献信息

• Stabilization of Luminescent Mononuclear Three‐Coordinate Cu^I Complexes by Two Distinct Cavity‐Shaped Diphosphanes Obtained from a Single α‐Cyclodextrin Precursor
  作者：Tuan‐Anh Phan、Matthieu Jouffroy、Dominique Matt、Nicola Armaroli、Alejandra Saavedra Moncada、Elisa Bandini、Béatrice Delavaux‐Nicot、Jean‐François Nierengarten、Dominique Armspach

  DOI：10.1002/chem.202302750

  日期：2024.2

  Slightly different reaction conditions afforded two distinct cavity‐shaped cis‐chelating diphosphanes from the same starting materials, namely diphenyl(2‐phosphanylphenyl)phosphane and an α–cyclodextrin‐derived dimesylate. Thanks to their metal‐confining properties, the two diphosphanes form only mononuclear [CuX(PP)] complexes (X=Cl, Br, or I) with the tricoordinated metal ion located just above the center of the cavity. The two series of Cu^I complexes display markedly different luminescence properties that are both influenced by the electronic properties of the ligand and the unique steric environment provided by the cyclodextrin (CD) cavity. The excited state lifetimes of all complexes are significantly longer than those of the cavity‐free analogues suggesting peculiar electronic effects that affect radiative deactivation constants. The overall picture stemming from absorption and emission data suggests close‐lying charge‐transfer (MLCT, XLCT) and triplet ligand‐centered (LC) excited states.

  摘要略微不同的反应条件可从相同的起始原料（即二苯基（2-膦酰基苯基）膦烷和α-环糊精衍生的二甲膦酸酯）得到两种不同的空腔形顺式螯合二膦。由于这两种二膦烷的金属封闭特性，它们只能形成单核[CuX(PP)]配合物（X=Cl、Br 或 I），三配位金属离子位于空腔中心的正上方。这两个系列的 CuI 复合物显示出明显不同的发光特性，这既受到配体电子特性的影响，也受到环糊精（CD）空腔提供的独特立体环境的影响。所有复合物的激发态寿命都明显长于无空腔类似物，这表明它们具有影响辐射失活常数的特殊电子效应。从吸收和发射数据得出的总体情况表明，存在近邻电荷转移（MLCT、XLCT）和三重配体中心（LC）激发态。
• Preparation of di-O-triphenylmethyl-(trityl)-cyclomalto-hexaoses and -cyclomaltoheptaoses and characterization of three positional isomers of each by the “hex-5-enose degradation”
  作者：Toshiko Tanimoto、Mari Tanaka、Tomoko Yuno、Kyoko Koizumi

  DOI：10.1016/0008-6215(92)80001-h

  日期：1992.1

  Regioisomeric 6l,6n-di-O-trityl-cyclomaltohexaoses (cG6s) or -cyclomaltoheptaoses (cG7s) were prepared by the reaction of cyclomaltohexaose (1, cG6) or cylomaltoheptaose (5, cG7) with chlorotriphenylmethane methane in pyridine and isolation by h.p.l.c. The regiochemical determination of each three ditrityl-substituted substituted derivatives has been accomplished by the "hex-5-enose degradation", followed by measurement of their f.a.b.-mass spectra.
• Armspach, Dominique; Matt, Dominique; Toupet, Loic, Angewandte Chemie - International Edition, 2009, vol. 48, p. 4555 - 4558
  作者：Armspach, Dominique、Matt, Dominique、Toupet, Loic

  DOI：——

  日期：——