3,4-bis(tetradecan-1-yloxy)benzyl chloride | 870719-46-3

• 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: 3,4-bis(tetradecan-1-yloxy)benzyl chloride
• 英文别名: 3,4-ditetradecoxylbenzyl chloride；4-(Chloromethyl)-1,2-di(tetradecoxy)benzene
• CAS: 870719-46-3
• 化学式: C₃₅H₆₃ClO₂
• 分子量: 551.337
• InChiKey: RFAPCDNUMODZFL-UHFFFAOYSA-N

物化性质

• 沸点：
  609.9±40.0 °C(Predicted)
• 密度：
  0.927±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  15.5
• 重原子数：
  38
• 可旋转键数：
  29
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,4-bis(tetradecan-1-yloxy)benzyl chloride 在 sodium hydroxide 、 potassium carbonate 、 N,N'-二环己基碳二亚胺 、 DPTS 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 77.0h， 生成 4-ethynylbenzyl 3,5-bis[3',4'-di(tetradecan-1-yloxy)benzyloxy]benzoate
  参考文献：
  名称：

  螺旋树枝状聚苯乙炔的热可逆顺式-顺式向顺式-反式异构化

  摘要：

  高顺式含量 (81-99%) 顺式-反式聚苯乙炔 (PPA)，夹有两亲性自组装树突，聚 [(3,4-3,5)mG2-4EBn]，m = 8, 10, 12, 14, 16 和 (S)-3,7-二甲基辛基由 Rh(C 三键 CPh)(nbd)(PPh(3))(2) (nbd = 2,5-降冰片二烯)/N,N-(二甲氨基）吡啶（DMAP）催化大分子单体聚合。由此产生的圆柱形 PPA 自组织成具有柱内顺序 (Phi(h)(io)) 和无 (Phi(h)) 的六边形柱状晶格。m = 12、14 和 16 的聚合物也表现出六方柱状晶相 (Phi(h,k))。通过差示扫描量热法和小广角 X 射线衍射的组合分析了这些树枝状 PPA 中的可逆 Phi(h,k) 到 Phi(h)(io) 到 Phi(h) 相变对粉末和定向纤维进行的实验。在 Phi(h,k) 和 Phi(h)(io) 相中，树枝状 PPA 形成螺旋多孔柱。螺旋孔在

  DOI：

  10.1021/ja055406w
• 作为产物：
  描述：

  溴代十四烷 在 lithium aluminium tetrahydride 、 氯化亚砜 、 potassium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.5h， 生成 3,4-bis(tetradecan-1-yloxy)benzyl chloride
  参考文献：
  名称：

  螺旋树枝状聚苯乙炔的热可逆顺式-顺式向顺式-反式异构化

  摘要：

  高顺式含量 (81-99%) 顺式-反式聚苯乙炔 (PPA)，夹有两亲性自组装树突，聚 [(3,4-3,5)mG2-4EBn]，m = 8, 10, 12, 14, 16 和 (S)-3,7-二甲基辛基由 Rh(C 三键 CPh)(nbd)(PPh(3))(2) (nbd = 2,5-降冰片二烯)/N,N-(二甲氨基）吡啶（DMAP）催化大分子单体聚合。由此产生的圆柱形 PPA 自组织成具有柱内顺序 (Phi(h)(io)) 和无 (Phi(h)) 的六边形柱状晶格。m = 12、14 和 16 的聚合物也表现出六方柱状晶相 (Phi(h,k))。通过差示扫描量热法和小广角 X 射线衍射的组合分析了这些树枝状 PPA 中的可逆 Phi(h,k) 到 Phi(h)(io) 到 Phi(h) 相变对粉末和定向纤维进行的实验。在 Phi(h,k) 和 Phi(h)(io) 相中，树枝状 PPA 形成螺旋多孔柱。螺旋孔在

  DOI：

  10.1021/ja055406w

文献信息

• Rodlike 4,6-diamino-1,3,5-triazine derivatives, effect of the core length on mesophase behavior and their application as LE-LCD device
  作者：Xiaoping Tan、Qing Chang、Fawu Su、Yu Cao、Feng Liu、Xiaohong Cheng

  DOI：10.1016/j.molliq.2021.117879

  日期：2022.1

  small/wide angle X-ray scattering, grazing incident small-angle X-ray scattering as well as molecular dynamics simulation, the results indicate that molecular curvature is critical to self-assembly structures. Moreover, the prerequisite for the formation of the CubI/Im3¯m phase is intermediate molecular curvature on the surface of the micelle to allow the intercalation of the alkyl chains. Finally,

  已经合成了三个系列不同核心长度的二氨基三嗪衍生物，并系统研究了结构变化和温度对其中间相行为的影响。专注于 CubI/Im3 ̄m 相的形成，发现了多个 2D/3D 相。通过偏振光学显微镜、小/广角 X 射线散射、掠入射小角 X 射线散射以及分子动力学模拟证实，结果表明分子曲率对自组装结构至关重要。此外，形成 CubI/Im3 ̄m 相的先决条件是胶束表面的中等分子曲率，以允许烷基链插层。最后，初步证明了发光液晶显示器 （LE-LCD） 器件等化合物的潜力。
• Lipid nanoparticle based compositions and methods for the delivery of biologically active molecules
  申请人：Chen Tongqian

  公开号：US20060240554A1

  公开（公告）日：2006-10-26

  The present invention relates to novel cationic lipids, transfection agents, microparticles, nanoparticles, and short interfering nucleic acid (siNA) molecules. The invention also features compositions, and methods of use for the study, diagnosis, and treatment of traits, diseases and conditions that respond to the modulation of gene expression and/or activity in a subject or organism. Specifically, the invention relates to novel cationic lipids, microparticles, nanoparticles and transfection agents that effectively transfect or deliver biologically active molecules, such as antibodies (e.g., monoclonal, chimeric, humanized etc.), cholesterol, hormones, antivirals, peptides, proteins, chemotherapeutics, small molecules, vitamins, co-factors, nucleosides, nucleotides, oligonucleotides, enzymatic nucleic acids, antisense nucleic acids, triplex forming oligonucleotides, 2,5-A chimeras, dsRNA, allozymes, aptamers, decoys and analogs thereof, and small nucleic acid molecules, such as short interfering nucleic acid (siNA), short interfering RNA (siRNA), double-stranded RNA (dsRNA), micro-RNA (miRNA), and short hairpin RNA (shRNA) molecules, to relevant cells and/or tissues, such as in a subject or organism. Such novel cationic lipids, microparticles, nanoparticles and transfection agents are useful, for example, in providing compositions to prevent, inhibit, or treat diseases, conditions, or traits in a cell, subject or organism. The compositions described herein are generally referred to as formulated molecular compositions (FMC) or lipid nanoparticles (LNP).

  本发明涉及新型阳离子脂质体、转染剂、微粒子、纳米粒子和短干扰核酸（siNA）分子。本发明还涉及用于研究、诊断和治疗对基因表达和/或活性调节有反应的特征、疾病和状况的组合物和使用方法。具体而言，本发明涉及能够有效转染或传递生物活性分子的新型阳离子脂质体、微粒子、纳米粒子和转染剂，例如抗体（例如单克隆、嵌合、人源化等）、胆固醇、激素、抗病毒药物、肽、蛋白质、化学治疗药物、小分子、维生素、辅因子、核苷、核苷酸、寡核苷酸、酶性核酸、反义核酸、三链形成寡核苷酸、2,5-A嵌合体、双链RNA、等位酶、适配体、诱饵和其类似物以及小的核酸分子，例如短干扰核酸（siNA）、短干扰RNA（siRNA）、双链RNA（dsRNA）、微小RNA（miRNA）和短发夹RNA（shRNA）分子，传递到相关的细胞和/或组织中，例如在主体或生物体中。这些新型阳离子脂质体、微粒子、纳米粒子和转染剂在提供用于预防、抑制或治疗细胞、主体或生物体中的疾病、状况或特征的组合物方面是有用的。本文所描述的组合物通常被称为配制分子组合物（FMC）或脂质纳米粒子（LNP）。
• LIPID NANOPARTICLE BASED COMPOSITIONS AND METHODS FOR THE DELIVERY OF BIOLOGICALLY ACTIVE MOLECULES
  申请人：Chen Tongqian

  公开号：US20080188675A1

  公开（公告）日：2008-08-07

  The present invention relates to novel cationic lipids, transfection agents, microparticles, nanoparticles, and short interfering nucleic acid (siNA) molecules. The invention also features compositions, and methods of use for the study, diagnosis, and treatment of traits, diseases and conditions that respond to the modulation of gene expression and/or activity in a subject or organism. Specifically, the invention relates to novel cationic lipids, microparticles, nanoparticles and transfection agents that effectively transfect or deliver biologically active molecules, such as antibodies (e.g., monoclonal, chimeric, humanized etc.), cholesterol, hormones, antivirals, peptides, proteins, chemotherapeutics, small molecules, vitamins, co-factors, nucleosides, nucleotides, oligonucleotides, enzymatic nucleic acids, antisense nucleic acids, triplex forming oligonucleotides, 2,5-A chimeras, dsRNA, allozymes, aptamers, decoys and analogs thereof, and small nucleic acid molecules, such as short interfering nucleic acid (siNA), short interfering RNA (siRNA), double-stranded RNA (dsRNA), micro-RNA (miRNA), and short hairpin RNA (shRNA) molecules, to relevant cells and/or tissues, such as in a subject or organism. Such novel cationic lipids, microparticles, nanoparticles and transfection agents are useful, for example, in providing compositions to prevent, inhibit, or treat diseases, conditions, or traits in a cell, subject or organism. The compositions described herein are generally referred to as formulated molecular compositions (FMC) or lipid nanoparticles (LNP).

  本发明涉及新型阳离子脂质体、转染剂、微粒、纳米粒子和短干扰核酸（siNA）分子。本发明还涉及用于研究、诊断和治疗对基因表达和/或活性调节有反应的特征、疾病和状况的组合物和使用方法。具体而言，本发明涉及新型阳离子脂质体、微粒、纳米粒子和转染剂，它们能有效地转染或传递生物活性分子，例如抗体（例如单克隆、嵌合、人源化等）、胆固醇、激素、抗病毒药物、肽、蛋白质、化疗药物、小分子、维生素、辅因子、核苷、核苷酸、寡核苷酸、酶性核酸、反义核酸、三股形成寡核苷酸、2,5-A嵌合体、dsRNA、等位酶、适配体、诱饵和类似物以及小核酸分子，例如短干扰核酸（siNA）、短干扰RNA（siRNA）、双链RNA（dsRNA）、微RNA（miRNA）和短发夹RNA（shRNA）分子，传递到相关的细胞和/或组织中，例如在主体或生物体中。这些新型阳离子脂质体、微粒、纳米粒子和转染剂在提供组合物以预防、抑制或治疗细胞、主体或生物体的疾病、状况或特征方面是有用的。本文所描述的组合物通常被称为配制的分子组合物（FMC）或脂质纳米粒子（LNP）。
• Lipid Nanoparticle Based Compositions and Methods for the Delivery of Biologically Active Molecules
  申请人：Chen Tongqian

  公开号：US20090048197A1

  公开（公告）日：2009-02-19

  The present invention relates to novel cationic lipids, transfection agents, microparticles, nanoparticles, and short interfering nucleic acid (siNA) molecules. The invention also features compositions, and methods of use for the study, diagnosis, and treatment of traits, diseases and conditions that respond to the modulation of gene expression and/or activity in a subject or organism. Specifically, the invention relates to novel cationic lipids, microparticles, nanoparticles and transfection agents that effectively transfect or deliver biologically active molecules, such as antibodies (e.g., monoclonal, chimeric, humanized etc.), cholesterol, hormones, antivirals, peptides, proteins, chemotherapeutics, small molecules, vitamins, co-factors, nucleosides, nucleotides, oligonucleotides, enzymatic nucleic acids, antisense nucleic acids, triplex forming oligonucleotides, 2,5-A chimeras, dsRNA, allozymes, aptamers, decoys and analogs thereof, and small nucleic acid molecules, such as short interfering nucleic acid (siNA), short interfering RNA (siRNA), double-stranded RNA (dsRNA), micro-RNA (miRNA), short hairpin RNA (shRNA), and RNAi inhibitor molecules, to relevant cells and/or tissues, such as in a subject or organism. Such novel cationic lipids, microparticles, nanoparticles and transfection agents are useful, for example, in providing compositions to prevent, inhibit, or treat diseases, conditions, or traits in a cell, subject or organism. The compositions described herein are generally referred to as formulated molecular compositions (FMC) or lipid nanoparticles (LNP).

  本发明涉及新型阳离子脂质、转染剂、微粒、纳米粒子和短干扰核酸（siNA）分子。本发明还涉及组合物和使用方法，用于研究、诊断和治疗对基因表达和/或活性调节有反应的个体或生物的特征、疾病和状况。具体而言，本发明涉及新型阳离子脂质、微粒、纳米粒子和转染剂，可以有效地转染或传递生物活性分子，如抗体（例如单克隆、嵌合、人源化等）、胆固醇、激素、抗病毒药物、肽、蛋白质、化学治疗药物、小分子、维生素、辅因子、核苷、核苷酸、寡核苷酸、酶性核酸、反义核酸、三链体寡核苷酸、2,5-A嵌合体、dsRNA、异构酶、aptamers、诱饵和其类似物，以及小的核酸分子，如短干扰核酸（siNA）、短干扰RNA（siRNA）、双链RNA（dsRNA）、微RNA（miRNA）、短发夹RNA（shRNA）和RNAi抑制分子，传递到相关的细胞和/或组织中，例如在个体或生物中。这种新型阳离子脂质、微粒、纳米粒子和转染剂在提供组合物以预防、抑制或治疗细胞、个体或生物的疾病、状况或特征方面是有用的。本文所描述的组合物通常称为配方分子组合物（FMC）或脂质纳米粒子（LNP）。
• COMPOSITIONS AND METHODS FOR POTENTIATED ACTIVITY OF BIOLOGICALLY ACTIVE MOLECULES
  申请人：Jadhav Vasant

  公开号：US20100015218A1

  公开（公告）日：2010-01-21

  The present invention relates to novel compositions and methods for potentiating the activity of biologically active molecules in conjunction with one or more delivery vehicles and one or more carrier molecules. Specifically, the invention features the use of a carrier molecule in combination with a delivery vehicle and a biologically active molecule of interest to potentiate the activity of the biologically active molecule. The carrier molecule can be biologically inert, inactive, or attenuated; or can alternately be biologically active in the same or different manner than the biologically active molecule of interest. Specifically, the invention features novel particle forming delivery agents including cationic lipids, microparticles, and nanoparticles that are useful for delivering various biologically active molecules to cells in conjunction with a carrier molecule. The invention also features compositions, and methods of use for the study, diagnosis, and treatment of traits, diseases and conditions that respond to the modulation of gene expression and/or activity in a subject or organism that are delivered intracellularly in conjunction with a carrier molecule. In various embodiments, the invention relates to novel cationic lipids, microparticles, nanoparticles and transfection agents that effectively transfect or deliver biologically active molecules, such as antibodies (e.g., monoclonal, chimeric, humanized etc.), cholesterol, hormones, antivirals, peptides, proteins, chemotherapeutics, small molecules, vitamins, co-factors, nucleosides, nucleotides, oligonucleotides, enzymatic nucleic acids, antisense nucleic acids, triplex forming oligonucleotides, 2,5-A chimeras, allozymes, aptamers, decoys and analogs thereof, and small nucleic acid molecules, such as short interfering nucleic acid (siNA), short interfering RNA (siRNA), double-stranded RNA (dsRNA), micro-RNA (miRNA), and short hairpin RNA (shRNA) molecules, to relevant cells and/or tissues, such as in a subject or organism, in conjunction with one or more carrier molecules. Such novel cationic lipids, microparticles, nanoparticles and transfection agents that are used in conjunction with one or more carrier molecules are useful, for example, in providing compositions to prevent, inhibit, or treat diseases, conditions, or traits in a cell, subject or organism.

  本发明涉及一种新型组合物和方法，用于增强生物活性分子的活性，结合一个或多个传递载体和一个或多个载体分子。具体而言，本发明涉及使用载体分子与传递载体和感兴趣的生物活性分子结合，以增强生物活性分子的活性。载体分子可以是生物惰性、不活跃或减弱的；或者可以是与生物活性分子以相同或不同的方式活跃的。具体而言，本发明涉及新型形成颗粒的传递剂，包括阳离子脂质、微粒和纳米粒子，它们对于传递各种生物活性分子到细胞中与载体分子结合是有用的。本发明还涉及组合物和使用方法，用于研究、诊断和治疗在主体或有机体中对基因表达和/或活性调节有反应的特征、疾病和情况，这些组合物和方法是与载体分子一起递送到细胞内的。在各种实施例中，本发明涉及新型阳离子脂质、微粒、纳米粒子和转染剂，它们有效地转染或递送生物活性分子，如抗体（例如单克隆、嵌合、人源化等）、胆固醇、激素、抗病毒药物、肽、蛋白质、化学治疗药物、小分子、维生素、辅因子、核苷、核苷酸、寡核苷酸、酶核酸、反义核酸、三链体寡核苷酸、2,5-A嵌合体、异构酶、适配体、诱饵和其类似物以及小核酸分子，如短干扰核酸（siNA）、短干扰RNA（siRNA）、双链RNA（dsRNA）、微RNA（miRNA）和短发夹RNA（shRNA）分子，递送到相关的细胞和/或组织中，例如在主体或有机体中，与一个或多个载体分子结合。这种与一个或多个载体分子一起使用的新型阳离子脂质、微粒、纳米粒子和转染剂是有用的，例如提供组合物以预防、抑制或治疗细胞、主体或有机体中的疾病、情况或特征。