6^A,6^B,6^C-tri(O-tosyl) β-cyclodextrin | 123782-06-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6^A,6^B,6^C-tri(O-tosyl) β-cyclodextrin
• 英文别名: [(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-20,25,30,35-tetrakis(hydroxymethyl)-5,10-bis[(4-methylphenyl)sulfonyloxymethyl]-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-15-yl]methyl 4-methylbenzenesulfonate
• CAS: 123782-06-9
• 化学式: C₆₃H₈₈O₄₁S₃
• 分子量: 1597.57
• InChiKey: UGDLKISWDXJOGJ-BXGMBMETSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.07
• 重原子数：
  107.0
• 可旋转键数：
  16.0
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  623.47
• 氢给体数：
  18.0
• 氢受体数：
  41.0

反应信息

• 作为反应物：
  描述：

  6^A,6^B,6^C-tri(O-tosyl) β-cyclodextrin 在 barium dihydroxide 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以69.4%的产率得到(1R,3R,4R,7R,9R,11R,12R,15R,17R,19R,20R,23R,25R,27S,28R,30R,32S,33R,35R,37S,38R,40R,42S,43R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R)-28,33,38,43-tetrakis(hydroxymethyl)-2,5,8,10,13,16,18,21,24,26,29,31,34,36,39,41,44-heptadecaoxaundecacyclo[40.2.2.227,30.232,35.237,40.14,9.112,17.120,25.03,7.011,15.019,23]pentapentacontane-45,46,47,48,49,50,51,52,53,54,55-undecol
  参考文献：
  名称：

  Specific preparation and structure determination of 3A,3C,3E-tri-O-sulfonyl-.beta.-cyclodextrin

  摘要：

  DOI：

  10.1021/jo00290a016
• 作为产物：
  描述：

  6A,6B-dideoxy-6A,6B-bis(tosyloxy)-β-cyclodextrin 生成 6^A,6^B,6^C-tri(O-tosyl) β-cyclodextrin
  参考文献：
  名称：

  FUJITA, KAHEE;TAHARA, TSUTOMU;KOGA, TOSHITAKA, CHEM. LETT.,(1989) N, C. 821-824

  摘要：

  DOI：

文献信息

• Regioisomeric 6^A,6^X,6^Y-Tri-<i>O</i>-sulfonylated β-Cyclodextrin
  作者：Kahee Fujita、Tsutomu Tahara、Toshitaka Koga

  DOI：10.1246/cl.1989.821

  日期：1989.5

  All of five regioisomeric 6A ,6X ,6Y-tri-O-(p-toluenesulfonyl)-β-cyclodextrins were prepared, isolated, and their structures were determined through a combination of the extended Körner method, 3,6-anhydration, and the Taka amylase A-catalyzed hydrolysis.

  通过扩展柯尔纳法、3,6-水合法和塔卡淀粉酶 A 催化水解法，制备并分离出五种 6A,6X,6Y-ri-O-(p-toluenesulfonyl)-β- 环糊精异构体，并确定了它们的结构。
• Selective synthesis and structure determination of 6A,6C,6E-tri(O-sulfonyl)-β-cyclodextrins
  作者：Masato Atsumi、Mayuko Izumida、De-Qi Yuan、Kahee Fujita

  DOI：10.1016/s0040-4039(00)01415-5

  日期：2000.10

  By reacting with a rigid disulfonyl chloride, beta-cyclodextrin 6-tosylate is readily disulfonylated for the first time to give 6(A),6(C),6(E)-trisulfonylated beta-cyclodextrins in good yields, which represents an efficient novel method for the regio-selective preparation of 6(A),6(C),6(E)-trifunctionalized beta-cyclodextrins. (C) 2000 Elsevier Science Ltd. All rights reserved.
• FUJITA, KAHEE;TAHARA, TSUTOMU;YAMAMURA, HATSUO;IMOTO, TAIJI;KOGA, TOSHITA+, J. ORG. CHEM., 55,(1990) N, C. 877-880
  作者：FUJITA, KAHEE、TAHARA, TSUTOMU、YAMAMURA, HATSUO、IMOTO, TAIJI、KOGA, TOSHITA+

  DOI：——

  日期：——