3,5-bis(methoxymethyl)benzaldehyde | 137334-70-4

• 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: 3,5-bis(methoxymethyl)benzaldehyde
• CAS: 137334-70-4
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: KJLBECPMEXYTQS-UHFFFAOYSA-N

物化性质

• 沸点：
  274.4±40.0 °C(Predicted)
• 密度：
  1.082±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5-bis(methoxymethyl)benzaldehyde 在 三乙基硅烷 、 正丁基锂 、 三氯化硼 、 potassium carbonate 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基乙酰胺 为溶剂， 反应 14.33h， 生成 1,13,14,21,22,34-hexahydro-30,36,48-trimethoxy-13,21,44-tris<(4-methylphenyl)sulfonyl>-6H,12H,20H,28H-2,5-etheno-9,25-<(methanimino)methano>3,32:17,37-dimethano-7,11:15,19:23,27:29,33-tetrametheno-13,21-benzodiazacyclohexatriacontine racemate
  参考文献：
  名称：

  Host-guest complexation. 60. Rigidly hollow hosts that encapsulate small molecules

  摘要：

  New chiral host systems 1 and 2 possessing C3 symmetry have been designed and synthesized. Molecular models of 1 and 2 indicate they contain small enforced cavities and three portals complementary to small molecules. The crystal structure of 1.2CH3CN shows one molecule of CH3CN is encapsulated and the second exists as a solvate. A crystal structure of 2.2CH3OH shows one CH3OH molecule is encapsulated and a second serves as a solvate. A crystal structure of 2.CH2Cl2 shows the host to be empty and that the CH2Cl2 acts as a solvate to provide (by disorder) a C3 pattern about the C3 axis of the host. In CDCl3 solutions (CDCl3 is too large to occupy its cavity), 1 complexed O2, N2, H2O, and CO2 readily and reversibly (H-1 NMR spectra), particularly at low temperatures. In CDCl3 solution, 1 binds CH3OH with K(a) = 10 M-1, DELTA-G-degrees 295 = -1.4 kcal mol-1, DELTA-H congruent-to -6.6 kcal mol-1, and DELTA-S congruent-to -18 cal mol-1 K-1. It also binds CH3CN, but much more weakly. Triamine 2 in CDCl3 binds O2, N2, and H2O weakly and CH3OH with a K(a) = 47 M-1, DELTA-G-degrees 295 = -2.3 kcal mol-1, DELTA-H congruent-to -8.5 kcal mol-1, and DELTA-S congruent-to -21 cal mol-1 K-1. This host binds CH3CN at 295 K with a K(a) in the range of 1-10 M-1, and CH3CH2OH with a K(a) < 5 M-1. The H-1 NMR signals of the guest's CH2 group of 2.CH3CH2OH indicate the protons to be diastereotopic. The half-life for decomplexation of 2.CH3CH2OH was about 40 min at 25-degrees-C.

  DOI：

  10.1021/jo00027a011
• 作为产物：
  描述：

  N-甲酰吗啉 、 1-bromo-3,5-bis(methoxymethyl)benzene 在 正丁基锂 作用下， 生成 3,5-bis(methoxymethyl)benzaldehyde
  参考文献：
  名称：

  Host-guest complexation. 60. Rigidly hollow hosts that encapsulate small molecules

  摘要：

  New chiral host systems 1 and 2 possessing C3 symmetry have been designed and synthesized. Molecular models of 1 and 2 indicate they contain small enforced cavities and three portals complementary to small molecules. The crystal structure of 1.2CH3CN shows one molecule of CH3CN is encapsulated and the second exists as a solvate. A crystal structure of 2.2CH3OH shows one CH3OH molecule is encapsulated and a second serves as a solvate. A crystal structure of 2.CH2Cl2 shows the host to be empty and that the CH2Cl2 acts as a solvate to provide (by disorder) a C3 pattern about the C3 axis of the host. In CDCl3 solutions (CDCl3 is too large to occupy its cavity), 1 complexed O2, N2, H2O, and CO2 readily and reversibly (H-1 NMR spectra), particularly at low temperatures. In CDCl3 solution, 1 binds CH3OH with K(a) = 10 M-1, DELTA-G-degrees 295 = -1.4 kcal mol-1, DELTA-H congruent-to -6.6 kcal mol-1, and DELTA-S congruent-to -18 cal mol-1 K-1. It also binds CH3CN, but much more weakly. Triamine 2 in CDCl3 binds O2, N2, and H2O weakly and CH3OH with a K(a) = 47 M-1, DELTA-G-degrees 295 = -2.3 kcal mol-1, DELTA-H congruent-to -8.5 kcal mol-1, and DELTA-S congruent-to -21 cal mol-1 K-1. This host binds CH3CN at 295 K with a K(a) in the range of 1-10 M-1, and CH3CH2OH with a K(a) < 5 M-1. The H-1 NMR signals of the guest's CH2 group of 2.CH3CH2OH indicate the protons to be diastereotopic. The half-life for decomplexation of 2.CH3CH2OH was about 40 min at 25-degrees-C.

  DOI：

  10.1021/jo00027a011

文献信息

• N-(4- carbamimidoyl-phenyl) -glycine derivatives
  申请人：——

  公开号：US20010001799A1

  公开（公告）日：2001-05-24

  The invention is concerned with novel N-(4-carbamimidoyl-phenyl)-glycine derivatives of the formula: 1 wherein R 1 , E, X 1 to X 4 and G 1 and G 2 are as defined in the description and the claims, as well as hydrates or solvates and physiologically usable salts thereof.

  这项发明涉及一种新颖的公式为N-(4-羰基苄基)-甘氨酸衍生物，其中R1、E、X1至X4以及G1和G2如描述和权利要求中所定义，以及其水合物或溶剂合物和生理可用盐。
• Synthesis of a Strained Spherical Carbon Nanocage by Regioselective Alkyne Cyclotrimerization
  作者：Norihiko Hayase、Juntaro Nogami、Yu Shibata、Ken Tanaka

  DOI：10.1002/anie.201903422

  日期：2019.7.8

  The smallest spherical carbon nanocage so far, [2.2.2]carbon nanocage, has been synthesized by the cationic rhodium(I)/H8‐binap complex‐catalyzed regioselective intermolecular cyclotrimerization of a cis‐1‐ethynyl‐4‐arylcyclohexadiene derivative followed by the triple Suzuki–Miyaura cross‐couplings with 1,3,5‐triborylbenzene and reductive aromatization. This cage molecule is highly strained, and its

  迄今为止，最小的球形碳纳米笼[2.2.2]碳纳米笼是由阳离子铑（I）/ H 8键合配合物催化的顺式-1乙炔基-4-芳基环己二烯衍生物的区域选择性分子间环三聚合成的。通过Suzuki-Miyaura的三重交叉偶联与1,3,5-三硼烷基苯和还原性芳构化作用。该笼状分子高度应变，并且其环应变在[6]和[5]环对亚苯基的环应变之间。与已知的[4.4.4]碳纳米笼相比，观察到最大排放有明显的红移。顺式的连续环三聚化具有相同铑（I）催化剂的-1,4-二乙炔基环己二烯衍生物，然后进行还原芳构化，未能获得[1.1.1]碳纳米笼；取而代之的是生成了一个β图形的笼状分子。
• N- (4-carbamimidoyl-phenyl) -glycine derivatives
  申请人：——

  公开号：US20030083504A1

  公开（公告）日：2003-05-01

  The invention is concerned with novel N-(4-carbamimidoyl-phenyl)-glycine derivatives of the formula: 1 wherein R 1 , E, X 1 to X 4 and G 1 and G 2 are as defined in the description and the claims, as well as hydrates or solvates and physiologically usable salts thereof.

  本发明涉及一种新的N-(4-氨基甲酰基苯基)-甘氨酸衍生物，其化学式为：1，其中R1、E、X1至X4和G1和G2如说明书和权利要求所定义，以及其水合物或溶剂化合物和生理上可用的盐。
• Novel multi-branched polymer
  申请人：Aoyagi Koichiro

  公开号：US20070142504A1

  公开（公告）日：2007-06-21

  The aim of the present invention is to provide a multi-branched polymer, in which branch terminals can be easily modified and which have a high degree of branching and narrow dispersion. By polymerizing a compound having 2 or more polymerization-initiation sites and polymerizable unsaturated bonds with a living radical polymerization method using a metal catalyst, it is possible to produce a multi-branched polymer with narrow dispersion and a high degree of branching and having repeating units represented by the formula (I): wherein R 1 to R 3 each independently represents hydrogen or a hydrocarbon group, R 1 may be bonded to R 3 to form a ring; X represents a connecting group having a valence of 3 or higher; Y may be the same or different and each represents a functional group which may have a halogen atom at a terminal thereof; and a is an integer of 2 or larger.

  本发明的目的是提供一种多支化聚合物，其中支链末端可以容易地修改，并具有高度分支和窄分散度。通过使用金属催化剂的活性自由基聚合方法聚合具有2个或更多聚合引发位点和可聚合不饱和键的化合物，可以产生具有窄分散度和高度分支的多支化聚合物，并具有由式（I）表示的重复单元：其中R1至R3各自独立表示氢或碳氢基团，R1可以与R3连接形成环；X表示具有3或更高价的连接基团；Y可以相同或不同，每个表示具有末端可能有卤素原子的功能基团；a是2或更大的整数。
• Multi-branched polymer
  申请人：Nippon Soda Co., Ltd.

  公开号：US07732549B2

  公开（公告）日：2010-06-08

  The aim of the present invention is to provide a multi-branched polymer, in which branch terminals can be easily modified and which have a high degree of branching and narrow dispersion. By polymerizing a compound having 2 or more polymerization-initiation sites and polymerizable unsaturated bonds with a living radical polymerization method using a metal catalyst, it is possible to produce a multi-branched polymer with narrow dispersion and a high degree of branching and having repeating units represented by the formula (I): wherein R1 to R3 each independently represents hydrogen or a hydrocarbon group, R1 may be bonded to R3 to form a ring; X represents a connecting group having a valence of 3 or higher; Y may be the same or different and each represents a functional group which may have a halogen atom at a terminal thereof; and a is an integer of 2 or larger.

  本发明的目的是提供一种多支化聚合物，其中支链端可以轻松地改变，并且具有高度分支和狭窄的分散性。通过使用金属催化剂的活性自由基聚合方法聚合具有2个或更多聚合引发位点和可聚合不饱和键的化合物，可以生产具有狭窄分散和高度分支的多支化聚合物，其中具有由式(I)表示的重复单元：其中R1至R3各自独立地表示氢或烃基，R1可以与R3结合形成环；X表示具有3或更高价的连接基团；Y可以相同或不同，每个表示具有在其末端可能有卤素原子的功能基团；a是大于等于2的整数。