6-deoxy-6-formyl-β-cyclodextrin | 1004995-28-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-deoxy-6-formyl-β-cyclodextrin
• 英文别名: 6^I-deoxy-6^I-formyl-β-cyclodextrin；2-[(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-10,15,20,25,30,35-hexakis(hydroxymethyl)-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-5-yl]acetaldehyde
• CAS: 1004995-28-1
• 化学式: C₄₃H₇₀O₃₅
• 分子量: 1147.01
• InChiKey: BFUXTXCHISAKIL-QASYHWDUSA-N

物化性质

• 沸点：
  1536.5±60.0 °C(Predicted)
• 密度：
  1.604±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -14.9
• 重原子数：
  78
• 可旋转键数：
  8
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  551
• 氢给体数：
  20
• 氢受体数：
  35

反应信息

• 作为反应物：
  描述：

  6-deoxy-6-formyl-β-cyclodextrin 、 偏二甲肼 反应 12.0h， 以170 mg的产率得到6^I-deoxy-6^I-(1,1-dimethyl)hydrazone-β-cyclodextrin
  参考文献：
  名称：

  Efficient regioselective functionalizations of cyclodextrins carried out under microwaves or power ultrasound

  摘要：

  Regioselective syntheses of differently functionalized cyclodextrins (CDs) were efficiently carried out tinder ultrasound or microwave irradiation. 6(I)-Deoxy-6(I)-thio-beta-CD, 6(I)-deoxy-6(I)-formyl-beta-CD, and 6(A),6(D)-dideoxy-6(A),6(D)-dithio-beta-CD were prepared under microwave irradiation. A new rapid and efficient ultrasound-assisted protocol is described for the synthesis of 3(I)-azido-3(I) deoxy-alpha, -beta, and -gamma-CD by selective tosylation followed by azide substitution. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.10.104
• 作为产物：
  描述：

  mono-6-deoxy-6-(p-toluenesulfonyl)-β-cyclodextrin 在 2,3,5-三甲基吡啶 作用下， 以 二甲基亚砜 为溶剂， 反应 0.25h， 以68%的产率得到6-deoxy-6-formyl-β-cyclodextrin
  参考文献：
  名称：

  Efficient regioselective functionalizations of cyclodextrins carried out under microwaves or power ultrasound

  摘要：

  Regioselective syntheses of differently functionalized cyclodextrins (CDs) were efficiently carried out tinder ultrasound or microwave irradiation. 6(I)-Deoxy-6(I)-thio-beta-CD, 6(I)-deoxy-6(I)-formyl-beta-CD, and 6(A),6(D)-dideoxy-6(A),6(D)-dithio-beta-CD were prepared under microwave irradiation. A new rapid and efficient ultrasound-assisted protocol is described for the synthesis of 3(I)-azido-3(I) deoxy-alpha, -beta, and -gamma-CD by selective tosylation followed by azide substitution. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.10.104

文献信息

• Efficient regioselective functionalizations of cyclodextrins carried out under microwaves or power ultrasound
  作者：Katia Martina、Francesco Trotta、Bruna Robaldo、Nikka Belliardi、László Jicsinszky、Giancarlo Cravotto

  DOI：10.1016/j.tetlet.2007.10.104

  日期：2007.12

  Regioselective syntheses of differently functionalized cyclodextrins (CDs) were efficiently carried out tinder ultrasound or microwave irradiation. 6(I)-Deoxy-6(I)-thio-beta-CD, 6(I)-deoxy-6(I)-formyl-beta-CD, and 6(A),6(D)-dideoxy-6(A),6(D)-dithio-beta-CD were prepared under microwave irradiation. A new rapid and efficient ultrasound-assisted protocol is described for the synthesis of 3(I)-azido-3(I) deoxy-alpha, -beta, and -gamma-CD by selective tosylation followed by azide substitution. (c) 2007 Elsevier Ltd. All rights reserved.