N-(4-phenyl)benzylphthalimide | 335389-96-3

• 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-(4-phenyl)benzylphthalimide
• 英文别名: 2-biphenyl-4-ylmethyl-isoindole-1,3-dione；2-([1,1'-Biphenyl]-4-ylmethyl)isoindoline-1,3-dione；2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
• CAS: 335389-96-3
• 化学式: C₂₁H₁₅NO₂
• 分子量: 313.356
• InChiKey: CVJCRESTDNBBME-UHFFFAOYSA-N

物化性质

• 沸点：
  499.9±34.0 °C(Predicted)
• 密度：
  1.272±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(4-phenyl)benzylphthalimide 在 肼 作用下， 生成 4-氨基乙基联苯
  参考文献：
  名称：

  N（6）取代的腺苷衍生物的抗疟疾活性。第一部分

  摘要：

  报道了新型N（6）-取代的腺苷衍生物的合成和生物学评估。使用用于用各种胺亲核取代1-（6-氯嘌呤-9-基）-β-D-1-脱氧核糖呋喃糖的既定程序，获得第一系列化合物。此外，在腺苷的N（6）位置的两个不同的氨基官能化间隔臂的连接能够通过创新的聚合物辅助协议进行衍生化。因此，我们能够制备出三个系列的取代衍生物，它们在细胞培养实验中显示出与多抗性恶性疟原虫菌株Dd2相比具有活性。

  DOI：

  10.1016/s0968-0896(01)00331-5
• 作为产物：
  描述：

  邻苯二甲酸亚胺 、 联苯-4-甲醇 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 乙醇 为溶剂， 生成 N-(4-phenyl)benzylphthalimide
  参考文献：
  名称：

  N（6）取代的腺苷衍生物的抗疟疾活性。第一部分

  摘要：

  报道了新型N（6）-取代的腺苷衍生物的合成和生物学评估。使用用于用各种胺亲核取代1-（6-氯嘌呤-9-基）-β-D-1-脱氧核糖呋喃糖的既定程序，获得第一系列化合物。此外，在腺苷的N（6）位置的两个不同的氨基官能化间隔臂的连接能够通过创新的聚合物辅助协议进行衍生化。因此，我们能够制备出三个系列的取代衍生物，它们在细胞培养实验中显示出与多抗性恶性疟原虫菌株Dd2相比具有活性。

  DOI：

  10.1016/s0968-0896(01)00331-5

文献信息

• Fluoroboron compound, aminomethylating agent for aromatic ring made of the same, and production method of compound containing aminomethyl aromatic ring using aminomethylating agent
  申请人：Tanaka Keigo

  公开号：US20080015351A1

  公开（公告）日：2008-01-17

  A production method of a compound containing a primary, secondary, or tertiary aminomethyl aromatic ring of the present invention includes: using a fluoroboron compound or a dimer thereof, or solvates thereof, which are represented by a formula (I): Ra(Rb)N—CH 2 —BF 3 M   (I) as an aminomethylating agent for an aromatic ring; and reacting the aminomethylating agent with an aromatic ring-containing compound, which can react with the aminomethylating agent, under the presence of a metal catalyst such as a palladium compound so as to perform the direct aminomethylation of the aromatic ring.

  本发明涉及一种含有一级、二级或三级氨甲基芳环的化合物的生产方法，包括以下步骤：使用由式（I）表示的氟硼化合物或其二聚体或溶剂化物作为芳环的氨甲基化试剂；在金属催化剂（如钯化合物）的存在下，将氨甲基化试剂与能够与其反应的含芳环化合物反应，从而进行芳环的直接氨甲基化。式（I）如下：Ra(Rb)N—CH2—BF3M   (I)
• FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING MADE OF THE SAME, AND PRODUCTION METHOD OF COMPOUND CONTAINING AMINOMETHYL AROMATIC RING USING AMINOMETHYLATING AGENT
  申请人：TANAKA Keigo

  公开号：US20120010403A1

  公开（公告）日：2012-01-12

  A production method of a compound containing a primary, secondary, or tertiary aminomethyl aromatic ring of the present invention includes: using a fluoroboron compound or a dimer thereof, or solvates thereof, which are represented by a formula (I): Ra(Rb)N—CH 2 —BF 3 M  (I) as an aminomethylating agent for an aromatic ring; and reacting the aminomethylating agent with an aromatic ring-containing compound, which can react with the aminomethylating agent, under the presence of a metal catalyst such as a palladium compound so as to perform the direct aminomethylation of the aromatic ring.

  本发明涉及一种含有一级、二级或三级氨甲基芳香环的化合物的生产方法，包括：使用由公式（I）表示的氟硼化合物或其二聚体或其溶剂化物作为芳香环的氨甲基化试剂，其中，公式（I）为：Ra（Rb）N—CH2—BF3M  （I）；并在金属催化剂（如钯化合物）的存在下，将氨甲基化试剂与可以与其反应的含芳香环化合物反应，以进行芳香环的直接氨甲基化。
• Structure−Activity Relationships in the Binding of Chemically Derivatized CD4 to gp120 from Human Immunodeficiency Virus
  作者：Hui Xie、Danny Ng、Sergey N. Savinov、Barna Dey、Peter D. Kwong、Richard Wyatt、Amos B. Smith、Wayne A. Hendrickson

  DOI：10.1021/jm070564e

  日期：2007.10.1

  The first step in HIV infection is the binding of the envelope glycoprotein gp120 to the host cell receptor CD4. An interfacial "Phe43 cavity" in gp120, adjacent to residue Phe43 of gp120-bound CD4, has been suggested as a potential target for therapeutic intervention. We designed a CD4 mutant (D1D2F43C) for site-specific coupling of compounds for screening against the cavity. Altogether, 81 cysteine-reactive compounds were designed, synthesized, and tested. Eight derivatives exceeded the affinity of native D1D2 for gp 120. Structure-activity relationships (SAR) for derivatized CD4 binding to gp 120 revealed significant plasticity of the Phe43 cavity and a narrow entrance. The primary contacts for compound recognition inside the cavity were found to be van der Waals interactions, whereas hydrophilic interactions were detected in the entrance. This first SAR on ligand binding to an interior cavity of gp 120 may provide a starting point for structure-based assembly of small molecules targeting gp120-CD4 interaction.
• The first preparation of α-functionalized benzylamine
  作者：Su-Dong Cho、Hyeung-Jae Kim、Chuljin Ahn、J.R. Falck、Dong-Soo Shin

  DOI：10.1016/s0040-4039(99)01713-x

  日期：1999.11

  We have investigated the alpha-acetoxylation of benzylamine derivatives 4 from substituted benzylphthalimide 3 using NBS/AcONa/AcOH in chlorobenzene at reflux. (C) 1999 Elsevier Science Ltd. All rights reserved.
• FLUOROBORON COMPOUND, AMINOMETHYLATING AGENT FOR AROMATIC RING COMPRISING THE COMPOUND, AND PROCESS FOR PRODUCTION OF COMPOUND HAVING AMINOMETHYL-AROMATIC RING USING THE AMINOMETHYLATING AGENT
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2039697B1

  公开（公告）日：2013-09-04