2,2’-((5-bromo-1,3-phenylene)bis(methylene))bis(isoindoline-1,3-dione) | 212311-96-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2,2’-((5-bromo-1,3-phenylene)bis(methylene))bis(isoindoline-1,3-dione)
• 英文别名: 2,2′-((5-bromo-1,3-phenylene)bis(methylene))bis(isoindoline-1,3-dione)；2-[[3-Bromo-5-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]isoindole-1,3-dione
• CAS: 212311-96-1
• 化学式: C₂₄H₁₅BrN₂O₄
• 分子量: 475.298
• InChiKey: NACSRSJCRNEZOB-UHFFFAOYSA-N

物化性质

• 沸点：
  648.8±55.0 °C(Predicted)
• 密度：
  1.647±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2’-((5-bromo-1,3-phenylene)bis(methylene))bis(isoindoline-1,3-dione) 在 一水合肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 2.0h， 生成 Thiourea, N,N''-[(5-bromo-1,3-phenylene)bis(methylene)]bis[N'-butyl-
  参考文献：
  名称：

  Novel Self-Assembly of m-Xylylene Type Dithioureas by Head-to-Tail Hydrogen Bonding

  摘要：

  Dithiourea 1a self-assembles to form an orthogonal dimer structure both in solution and in the solid state, wherein the four thiourea groups establish a closed network of hydrogen bonds through a head-to-tail binding mode. This novel dimer structure was elucidated on the basis of H-1 NMR spectra, vapor pressure osmometry, and X-ray crystal structure analysis. Furthermore, a series of m-xylylene type dithioureas were synthesized and their dimerization constants (K-a) in CDCl3 were determined by dilution experiments using H-1 NMR spectroscopy. The magnitude of the K-a values are dependent on the steric bulk of the side chains, the acidity of the thiourea groups, and the weak intermolecular interaction between the benzene rings of the side chains and the m-xylylene spacer.

  DOI：

  10.1021/jo980441p
• 作为产物：
  描述：

  3,5-二甲基溴苯 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 甲酸甲酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 2,2’-((5-bromo-1,3-phenylene)bis(methylene))bis(isoindoline-1,3-dione)
  参考文献：
  名称：

  有机介质中碳水化合物的三环聚酰胺受体。

  摘要：

  受体1促进葡萄糖在氯仿中的溶解。两个腔室中有两个联苯单元和八个酰胺键，它们与β-吡喃葡萄糖基互补。受体1以不寻常的亲和力和立体选择性结合辛基糖苷，即使甲醇作为助溶剂存在。

  DOI：

  10.1002/(sici)1521-3773(19980904)37:16<2270::aid-anie2270>3.0.co;2-6

文献信息

• Synthesis of novel chiral quaternary phosphonium salts with a multiple hydrogen-bonding site, and their application to asymmetric phase-transfer alkylation
  作者：Kei Manabe

  DOI：10.1016/s0040-4020(98)00899-0

  日期：1998.11

  Chiral phosphonium salts having two NH and two OH groups as hydrogen-bond donors have been synthesized as novel phase-transfer catalysts, and used for asymmetric alkylation of β-keto esters to give the corresponding products with up to 50% ee.

  已经合成了具有两个NH和两个OH基团作为氢键供体的手性phospho盐，作为新型的相转移催化剂，并将其用于β-酮酯的不对称烷基化，得到了具有高达50％ee的相应产物。
• NARROW EMISSION DYES, COMPOSITIONS COMPRISING SAME, AND METHODS FOR MAKING AND USING SAME
  申请人：NIRvana Sciences Inc.

  公开号：US20220249708A1

  公开（公告）日：2022-08-11

  Provided are bacteriochlorin derivatives with narrow band emission. In some embodiments, the bacteriochlorin derivatives are PEGylated. In some embodiments, the bacteriochlorin derivatives have high water solubility (e.g., 10 mg/mL or more). In some embodiments the bacteriochlorin derivatives are PEGylated and have high water solubility. The bacteriochlorin derivatives can include bioconjugatable groups for forming conjugates, for example, with antibodies and nanoparticles. The bacteriochlorin derivatives and their conjugates can be used in imaging and therapeutic applications. Methods of synthesizing the bacteriochlorin derivatives are also provided.

  提供了具有窄带发射的叶绿素衍生物。在某些实施例中，叶绿素衍生物被PEG化。在某些实施例中，叶绿素衍生物具有高水溶性（例如，10毫克/毫升或更多）。在某些实施例中，叶绿素衍生物被PEG化并具有高水溶性。叶绿素衍生物可以包括生物共轭基团，用于形成共轭物，例如与抗体和纳米颗粒。叶绿素衍生物及其共轭物可用于成像和治疗应用。还提供了合成叶绿素衍生物的方法。
• Asymmetric phase-transfer alkylation catalyzed by a chiral quaternary phosphonium salt with a multiple hydrogen-bonding site
  作者：Kei Manabe

  DOI：10.1016/s0040-4039(98)01181-2

  日期：1998.8

  A chiral phosphonium salt has been synthesized as a novel phase-transfer catalyst, and used for asymmetric benzylation of t-butyl 2-oxocyclopentanecarboxylate to give the corresponding product with up to 50% ee. (C) 1998 Elsevier Science Ltd. All rights reserved.
• Novel Self-Assembly of <i>m</i>-Xylylene Type Dithioureas by Head-to-Tail Hydrogen Bonding
  作者：Yoshito Tobe、Shin-ichi Sasaki、Masaaki Mizuno、Keiji Hirose、Koichiro Naemura

  DOI：10.1021/jo980441p

  日期：1998.10.1

  Dithiourea 1a self-assembles to form an orthogonal dimer structure both in solution and in the solid state, wherein the four thiourea groups establish a closed network of hydrogen bonds through a head-to-tail binding mode. This novel dimer structure was elucidated on the basis of H-1 NMR spectra, vapor pressure osmometry, and X-ray crystal structure analysis. Furthermore, a series of m-xylylene type dithioureas were synthesized and their dimerization constants (K-a) in CDCl3 were determined by dilution experiments using H-1 NMR spectroscopy. The magnitude of the K-a values are dependent on the steric bulk of the side chains, the acidity of the thiourea groups, and the weak intermolecular interaction between the benzene rings of the side chains and the m-xylylene spacer.
• A Tricyclic Polyamide Receptor for Carbohydrates in Organic Media
  作者：Anthony P. Davis、Richard S. Wareham

  DOI：10.1002/(sici)1521-3773(19980904)37:16<2270::aid-anie2270>3.0.co;2-6

  日期：1998.9.4

  The dissolution of glucose in chloroform is promoted by the receptor 1. Two biphenyl units and eight amide linkages line the cavity of 1, which was designed for complementarity to β-glucopyranosyl. Receptor 1 binds octyl glycosides with unusual affinities and stereoselectivities, even with methanol present as cosolvent.

  受体1促进葡萄糖在氯仿中的溶解。两个腔室中有两个联苯单元和八个酰胺键，它们与β-吡喃葡萄糖基互补。受体1以不寻常的亲和力和立体选择性结合辛基糖苷，即使甲醇作为助溶剂存在。