dodecamethyl<1.₆>(2,5)furanophane | 61093-57-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: dodecamethyl<1.₆>(2,5)furanophane
• 英文别名: 2,2,4,4,6,6,8,8,10,10,12,12-dodecamethyl-1,3,5,7,9,11-hexa-(2,5)fura-cyclododecane；2,2,4,4,6,6,8,8,10,10,12,12-Dodecamethyl-1,3,5,7,9,11-hexa-(2,5)fura-cyclododecan；2,2,7,7,12,12,17,17,22,22,27,27-Dodecamethyl-31,32,33,34,35,36-hexaoxaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(30),3,5,8,10,13,15,18,20,23,25,28-dodecaene
• CAS: 61093-57-0
• 化学式: C₄₂H₄₈O₆
• 分子量: 648.84
• InChiKey: SHCAGKCVUVFMCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.6
• 重原子数：
  48
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  78.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  dodecamethyl<1.₆>(2,5)furanophane 在 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 以0.43 g的产率得到(4Z,9Z,14Z,19Z,24Z,29Z)-2,2,7,7,12,12,17,17,22,22,27,27-Dodecamethyl-cyclotriaconta-4,9,14,19,24,29-hexaene-1,3,6,8,11,13,16,18,21,23,26,28-dodecaone
  参考文献：
  名称：

  Enedione-functionalized macrocycles via oxidative ring opening of furans

  摘要：

  DOI：

  10.1021/jo00334a007
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 、 丙酮 作用下， 生成 dodecamethyl<1.₆>(2,5)furanophane
  参考文献：
  名称：

  THE CONDENSATION OF METHYL KETONES WITH FURAN

  摘要：

  DOI：

  10.1021/jo01126a001

文献信息

• Chiral naphthafurophanes from furan macrocycles
  作者：Piera Fonte、Franz H Kohnke、Melchiorre F Parisi、Stephan Menzer、David J Williams

  DOI：10.1016/0040-4039(96)01324-x

  日期：1996.8

  The cycloaddition of two moles of benzyne with any two non diametrically opposite furan units of 1 in an anti geometry yields a chiral macrocycle. The chiral anti-1,3-bis-adduct 2 has been isolated, characterised by X-ray crystallography, and converted into the corresponding dinaphthafurophane 4. The X-ray analysis of 4 shows the crystals to contain only a single enantiomer i.e. 4 undergoes spontaneous

  与任何两个非径向相对的呋喃单元苯炔的两个摩尔的环加成1中的抗几何产生手性大环化合物。已分离出手性抗-1,3-双加合物2，通过X射线晶体学表征，并转化为相应的二萘并呋喃酮4。X射线分析4显示晶体仅包含单个对映体，即4在结晶时经历自发的拆分。
• Conversion of the cyclic hexamer of furan and acetone into naphthafurophanes
  作者：Piera Fonte、Franz H Kohnke、Melchiorre F Parisi、David J Williams

  DOI：10.1016/0040-4039(96)01323-8

  日期：1996.8

  Furanophane 2 has been converted via benzyne addition/aromatisation into the naphthafurophanes 5 and 8. The X-ray structure of the diepoxydinaphthofurophane intermediate 6 is also reported. A preliminary dynamic NMR analysis of the conformational behaviour of 8 is presented.

  呋喃芬2已通过苯炔加成/芳构化转化为萘并呋喃烷5和8。还报道了二环氧双萘并呋喃酮中间体6的X射线结构。初步动态NMR分析了8的构象行为。
• Large cyclic oligomers of furan and acetone. X-ray crystal structure of the hexamer and first synthesis of the nonamer
  作者：F.H. Kohnke、G.L. La Torre、M.F. Parisi、S. Menzer、D.J. Williams

  DOI：10.1016/0040-4039(96)00885-4

  日期：1996.6

  The synthesis of several cyclic oligomers of furan and acetone containing four or more furan units has been re-examined. The structure of the [1.6](2,5)furanophane C6 has been investigated by X-ray crystallography. The first and efficient synthesis of the [1.9](2,5)furanophane C9 is also described.

  已经重新检查了含有四个或更多个呋喃单元的呋喃和丙酮的几种环状低聚物的合成。[1。已经通过X射线晶体学研究了6 ]（2,5）呋喃芬C6。第一种有效的合成方法[1。图9还描述了（2，5）呋喃喃酮C9。
• Direct conversion of macrocyclic furans into macrocyclic isothiazoles
  作者：Jér̂ome Guillard、Otto Meth-Cohn、Charles W. Rees、Andrew J. P. White、David J. Williams

  DOI：10.1039/b110287g

  日期：2002.1.30

  The first calixhetarenes with more than one heteroatom in the constituent rings are prepared in one step by treatment of calix[4]furan 1a and calix[6]furan 1b with ethyl carbamate, thionyl chloride and pyridine to give 2, 3, 4 and 5, 6, 7 respectively; these products have been characterised by X-ray crystallography which reveals that in 2 all eight heteroatoms lie on one face of the macrocycle.

  通过用氨基甲酸乙酯、亚硫酰氯和吡啶处理钙并[4]呋喃 1a 和钙并[6]呋喃 1b，一步制备出了第一批在组成环中含有一个以上杂原子的钙并[4]呋喃，并分别得到了 2、3、4 和 5、6、7。
• From Large Furan-Based Calixarenes to Calixpyrroles and Calix[n]furan[m]pyrroles: Syntheses and Structures
  作者：Grazia Cafeo、Franz H. Kohnke、Giovanna L. La Torre、Andrew J. P. White、David J. Williams

  DOI：10.1002/(sici)1521-3773(20000417)39:8<1496::aid-anie1496>3.0.co;2-i

  日期：2000.4.17