N-tosyl-bis(3-hydroxypropyl)amine | 56187-12-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-tosyl-bis(3-hydroxypropyl)amine
• 英文别名: N-tosyl-3,3'-iminobispropan-1-ol；3,3'-iminodipropanol tosylamide；4-tosyl-4-aza-1,7-heptanediol；N,N-bis-(3-hydroxypropyl)-p-toluenesulfonamide；N,N-bis(3-hydroxypropyl)-4-methylbenzenesulfonamide
• CAS: 56187-12-3
• 化学式: C₁₃H₂₁NO₄S
• 分子量: 287.38
• InChiKey: CCNDSWATRLQGQB-UHFFFAOYSA-N

物化性质

• 沸点：
  487.3±55.0 °C(Predicted)
• 密度：
  1.237±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  86.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-tosyl-bis(3-hydroxypropyl)amine 在 sodium hydroxide 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 48.0h， 生成 8,21-ditosyl-4,12,18,24-tetraoxa-1,8,15,21-tetraazabicyclo<13.11.2>octacosane
  参考文献：
  名称：

  Synthesis and complexation properties of suitcase-shaped macrotricyclic and butterfly-shaped macrobicyclic polyether ligands

  摘要：

  Ten suitcase-shaped macrotricyclic polyethers (1-10) containing nitrogen and carbon bridgehead atoms have been synthesized. These new cage compounds were prepared by connecting together two hydroxymethyl-substituted or two secondary amine-containing butterfly-shaped macrobicyclic polyethers by means of linear bifunctional connecting groups. Intermediate bis(hydroxymethyl)-substituted butterfly-shaped macrobicyclic polyether 14 was prepared by treating N,N'-bis(2-hydroxyethyl)ethylenediamine with 5-methylene-3,7-dioxanonane-1,9-diyl ditosylate to give bislariat 1,4-diaza-13-crown-4 (11) which was cyclized with 3-chloro-2-(chloromethyl)-l-propene followed by hydroboration. Intermediate bissecondary amine-contaminating butterfly shaped macrobicyclic polyethers 18 and 19 were prepared by treating N,N'-bis(2-hydroxyethyl)ethylenediamine with 6-tosyl-3,9-dioxa-6-aza-1,11-undecanediyl ditosylate (33) to give N-tosyl-N,N"-bis(2-hydroxyethyl)triaza-15-crown-5 (12). Lariat crown ether 12 was cyclized with 33 followed by reduction with LiAlH4 to give 18, or with 4-tosyl-4-aza-1,7-heptanediyl ditosylate (36) to give 19. Some of the suitcase-shaped macrotricycles interacted with various cations. One was selective for Pb2+ ions and another interacted strongly with Hg2+. A crystal structure for the 13-NaClO4 complex also is reported.

  DOI：

  10.1021/jo00044a040
• 作为产物：
  描述：

  双(2-氰基乙基)胺 在 吡啶 、 盐酸 、 sodium tetrahydroborate 、 三氟化硼乙醚 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 8.5h， 生成 N-tosyl-bis(3-hydroxypropyl)amine
  参考文献：
  名称：

  Pratt, John A. E.; Sutherland, Ian O.; Newton, Roger F., Journal of the Chemical Society. Perkin transactions I, 1988, p. 13 - 22

  摘要：

  DOI：

文献信息

• Boerjesson, L.; Welch, C. J., Acta Chemica Scandinavica, 1991, vol. 45, # 6, p. 621 - 626
  作者：Boerjesson, L.、Welch, C. J.

  DOI：——

  日期：——
• Synthesis of 2,3,5,6-tetrahydro-1h,4h,11ch-3a,6a,11b-triazabenz[de] anthracene (5) and x-ray crystal structure determinations of (5), hexahydro-1h,4h,7h,9bh-3a,6a,9a-triazaphenalene (1), benzo[b]-1,5,9-triazadodecane n,n',“n-tritosylamide, and of 1,5.9-triazadodecane n,n',n”-tritosylamide
  作者：Roy L. Beddoes、W.D. Edwards、J.A. Joule、O.S. Mills、J.D. Street

  DOI：10.1016/s0040-4020(01)81503-9

  日期：1987.1
• Transfer of hydrogen from orthoamides. Synthesis, structure, and reactions of hexahydro-6bH-2a,4a,6a-triazacyclopenta[cd]pentalene and perhydro-3a,6a,9a-triazaphenalene
  作者：Jeanette M. Erhardt、Edward R. Grover、James D. Wuest

  DOI：10.1021/ja00540a045

  日期：1980.9
• Krakowiak, Krzysztof E.; Kotelko, Barbara; Bradshaw, Jerald S., Journal of Heterocyclic Chemistry, 1988, vol. 25, p. 1327 - 1330
  作者：Krakowiak, Krzysztof E.、Kotelko, Barbara、Bradshaw, Jerald S.、Dalley, N. Kent

  DOI：——

  日期：——
• KRAKOWIAK, KRZYSZTOF E.;KOTELKO, BARBARA;BRADSHAW, JERALD S.;DALLEY, N. K+, J. HETEROCYCL. CHEM., 25,(1988) N, C. 1327-1330
  作者：KRAKOWIAK, KRZYSZTOF E.、KOTELKO, BARBARA、BRADSHAW, JERALD S.、DALLEY, N. K+

  DOI：——

  日期：——