[2,2-Bis(hydroxymethyl)-3-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxypropyl] 2,2,5-trimethyl-1,3-dioxane-5-carboxylate | 368886-52-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [2,2-Bis(hydroxymethyl)-3-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxypropyl] 2,2,5-trimethyl-1,3-dioxane-5-carboxylate
• CAS: 368886-52-6
• 化学式: C₂₁H₃₆O₁₀
• 分子量: 448.511
• InChiKey: YGRYTNCXJFJADS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  苯甲酸,3,4-二(十二烷氧基)- 、 [2,2-Bis(hydroxymethyl)-3-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxypropyl] 2,2,5-trimethyl-1,3-dioxane-5-carboxylate 在 N,N'-二环己基碳二亚胺 、 DPTS 作用下， 生成 [2,2-bis[(3,4-didodecoxybenzoyl)oxymethyl]-3-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxypropyl] 2,2,5-trimethyl-1,3-dioxane-5-carboxylate
  参考文献：
  名称：

  Synthesis and thermal behavior of Janus dendrimers, part 2

  摘要：

  The thermal properties of twelve Janus-type dendrimers up to the second generation were evaluated by termogravimetric analysis (TGA) and differential scanning calorimetry (DSC). Compounds consist of the dendritic bisMPA based polyester moieties, and either 3,4-bis-dodecyloxyl)enzoic acid, 3,5-bis-dodecyloxybenzoic acid or 3,4,5-tris-dodecyloxybenzoic acid moieties, attached to opposite sides of the pentaerythritol core. The thermal stability of the compounds was evaluated by TGA, displaying onset decomposition temperatures (T-d) at around 250 C. DSC measurements upon hearing and cooling confirmed that OH terminated Janus dendrimers featuring large polarity difference in opposite sides display liquid crystalline phases with exception of 3,5-type G1 dendrimer: while acetonide terminated dendrimers displayed merely melting transitions. Dendrimers having terminal alkyl chains at positions 3,4 or 3,4,5 in aromatic moieties exhibited enantiotropic mesophases. However, the thermal behavior of the dendrimers with 3,5-substitution pattern was different: the 3,5-type G1 dendrimer exhibit a lack of mesomorphic transition, and in the case of the 3,5-type G2 dendrimer, the mesophase was absent in the first hearing scan but was observed during the subsequent cooling and heating scans at the rate of 10 C/min. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.tca.2009.08.019
• 作为产物：
  描述：

  5,5-双(羟甲基)-2-苯基-1,3-二氧杂环己烷 在 palladium on activated charcoal 氢气 、 N,N'-二环己基碳二亚胺 、 DPTS 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 20.0~35.0 ℃ 、689.47 kPa 条件下， 反应 40.0h， 生成 [2,2-Bis(hydroxymethyl)-3-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxypropyl] 2,2,5-trimethyl-1,3-dioxane-5-carboxylate
  参考文献：
  名称：

  Bisfunctionalized Janus Molecules

  摘要：

  Bisfunctionalized dendritic multiester molecules were synthesized by combined protection-deprotection and divergent-convergent-divergent sequences in high yields leading to dendritic molecules that combine two functionally different surfaces, polar aliphatic arborol and nonpolar gallate ether moieties, resulting in a two-faced Janus molecule.

  DOI：

  10.1021/ol049555f

文献信息

• Synthesis and characterization of chiral azobenzene dye functionalized Janus dendrimers
  作者：Tero Tuuttila、Jarkko Lipsonen、Manu Lahtinen、Juhani Huuskonen、Kari Rissanen

  DOI：10.1016/j.tet.2008.08.078

  日期：2008.11

  polyester Janus dendrimers emanating from a pentaerythritol core were synthesized and their properties evaluated. 4-((4-(Ethyl(2-(2-(6-methoxynaphthalen-2-yl)propanoyloxy)ethyl)amino)-phenyl)diazenyl)-benzoic acid and 4-((4-(ethyl(2-(2-(6-methoxynaphthalen-2-yl)propanoyloxy)-ethyl)-amino)phenyl)diazenyl)-3-nitrobenzoic acid were attached to the dendritic polyester skeleton to make chiral dendrimers up to the

  合成了八种从季戊四醇核心发出的基于双发色bisMPA的聚酯Janus树状聚合物，并对其性能进行了评估。4-（（4-（乙基（2-（2-（2-（6-甲氧基萘-2-基）丙酰氧基）乙基）氨基）-苯基）二氮烯基）-苯甲酸和4-（（4-（乙基（2-（将2-（6-甲氧基萘-2-基）丙酰氧基）-乙基）-氨基）苯基）二氮烯基）-3-硝基苯甲酸连接到树枝状聚酯骨架上以制备手性树枝状聚合物直至第二代。分子的结构和纯度通过1 H NMR验证，1313 C NMR，ESI TOF质谱和元素分析。用UV-vis和CD光谱仪评估光谱性质。这些化合物在可见光区域显示出宽广的吸收最大值。CD光谱证实了化合物的光学纯度。通过热重分析（TGA）和差示扫描量热法（DSC）评估热性能。
• AMPHIPHILIC JANUS-DENDRIMERS
  申请人：Percec Virgil

  公开号：US20120308640A1

  公开（公告）日：2012-12-06

  The invention concerns compounds of the formula: X—(Y) t wherein: X is Formula (X), each Y is the same or different and is Formula (Y) —O—[CH 2 —CH(OH)—CH 2 —O—] m —H; or —C(OR 5 ) 3 ; R 1 , R 2 , R 3 , R 6 , R 7 , R 8 , R 9 , R 10 are each, independently, —(CH 2 CH 2 O) m —R 4 , —[CH 2 CH(OH)CH 2 O] n H, OR 11 , —O(CH 2 ) P R 13 , or —(CH 2 )R 12 ; each R 4 is independently OR 5 or OH; R 5 , R 11 and R 12 are each, independently, H or C 1 -C 30 alkyl; R 13 is —NH 3 + Cl − or —NHBoc; t is an integer from 2 to 6; m, n, and p are each, independently, an integer from 1 to 12; and each q, r, and s is 0 or 1 and the sum of q+r+s is at least 2.

  本发明涉及以下式的化合物：X—（Y）t其中：X是式（X），每个Y相同或不同，是式（Y）—O—[ —CH（OH）—CH2—O—]m—H；或—C（OR5）3；R1、R2、R3、R6、R7、R8、R9、R10各自独立地为—（ O）m—R4，—[ CH（OH） O]nH，OR11，—O（ ）PR13或—（ ）R12；每个R4独立地为OR5或OH；R5、R11和R12各自独立地为H或C1-C30烷基；R13为—NH3+Cl−或—NHBoc；t为2至6的整数；m、n和p各自独立地为1至12的整数；每个q、r和s为0或1，且q+r+s的总和至少为2。
• Synthesis and thermal behavior of Janus dendrimers, part 1
  作者：Tero Tuuttila、Manu Lahtinen、Noora Kuuloja、Juhani Huuskonen、Kari Rissanen

  DOI：10.1016/j.tca.2009.08.018

  日期：2010.1

  Eight Janus-type dendrimers up to the second generation were synthesized, and their thermal properties were evaluated. Compounds consist of the dendritic bisMPA based polyester moieties, and either 3,4-dihexyloxybenzoic acid or 3,4-dihexadecyloxybenzoic acid moieties, attached to opposite sides of the pentaerythritol core. The Structures of the molecules were verified with H-1 NMR, C-13 NMR, ESI TOF mass spectrometry and elemental analysis. The thermal stability was evaluated by thermogravimetric analysis. displaying onset decomposition temperatures (T-d) ranging from 241 to 308 degrees C. Phase transitions were studied by differential scanning calorimetry. Based on the performed studies it was confirmed that CH terminated dendrimers 2,4,6 and 8 exhibited liquid crystalline phases. Also, the X-ray powder diffraction measurements were accomplished for the dendrimers having terminal hydroxyl groups. (C) 2009 Elsevier B.V. All rights reserved
• US9623046B2
  申请人：——

  公开号：US9623046B2

  公开（公告）日：2017-04-18