N-decyl-2,2,2-trifluoroacetamide | 10574-25-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-decyl-2,2,2-trifluoroacetamide
• 英文别名: N-trifluoroacetyl-n-decylamine；N-n-decyltrifluoroacetamide；Acetamide, N-decyl-2,2,2-trifluoro-
• CAS: 10574-25-1
• 化学式: C₁₂H₂₂F₃NO
• 分子量: 253.308
• InChiKey: UHKFEPMQJVTIJM-UHFFFAOYSA-N

物化性质

• 沸点：
  294.8±40.0 °C(Predicted)
• 密度：
  1.017±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  17
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-decyl-2,2,2-trifluoroacetamide 在 乙酸酐 、 溶剂黄146 、 sodium nitrite 作用下， 反应 18.0h， 以77%的产率得到乙酸癸酯
  参考文献：
  名称：

  An improved procedure for the conversion of amines to alcohols at low temperature

  摘要：

  DOI：

  10.1021/jo00286a040
• 作为产物：
  描述：

  1-氨基癸烷 、 三氟乙酸酐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 N-decyl-2,2,2-trifluoroacetamide
  参考文献：
  名称：

  Site-Selective Defluorinative sp³ C–H Alkylation of Secondary Amides

  摘要：

  DOI：

  10.1021/jacs.1c03126

文献信息

• SOLID SUPPORTS AND PHOSPHORAMIDITE BUILDING BLOCKS FOR OLIGONUCLEOTIDE CONJUGATES
  申请人：AM Chemicals LLC

  公开号：US20180016232A1

  公开（公告）日：2018-01-18

  Novel non-nucleoside solid supports and phosphoramidite building blocks for preparation of synthetic oligonucleotides containing at least one non-nucleosidic moiety conjugated to a ligand of practical interest and synthetic processes for making the same are disclosed. Furthermore, oligomeric compounds are prepared using said solid supports and phosphoramidite building blocks, preferably followed by removal of protecting groups to provide oligonucleotides conjugated to ligands of interest.

  揭示了用于制备含有至少一个非核苷酸基团与实用兴趣配体共轭的合成寡核苷酸的新型非核苷酸固相支持体和磷酰胺酸酯构建块，以及制备这些固相支持体和磷酰胺酸酯构建块的合成过程。此外，使用所述固相支持体和磷酰胺酸酯构建块制备寡聚合物化合物，最好是在去除保护基的情况下，以提供与感兴趣的配体共轭的寡核苷酸。
• Reduction of Secondary Carboxamides to Imines
  作者：David J. A. Schedler、Jun Li、Bruce Ganem

  DOI：10.1021/jo960286j

  日期：1996.1.1

  Cp(2)ZrHCl to N-substituted imines in one step. The method represents the first controlled reduction of amides and lactams to the corresponding imines, a transformation that is otherwise very difficult to achieve because imines are reduced more rapidly than carboxamides by most metal hydride reagents. No products of reductive cleavage of the carboxamides are observed. Efforts to replace 2 mol equiv of Cp(2)ZrHCl

  本文详细报道了以下发现：仲酰胺和内酰胺的锆盐（IV）在一个步骤中被Cp（2）ZrHCl转化为N-取代的亚胺。该方法代表了酰胺和内酰胺的第一个受控还原为相应的亚胺，否则很难实现这种转化，因为大多数金属氢化物试剂比羧酸酰胺还原亚胺的速度更快。没有观察到羧酰胺的还原裂解产物。用更简单，成本更低的替代品替代2摩尔当量的Cp（2）ZrHCl的努力导致人们发现，可以用二异丁基铝烯醇盐代替最初的烯醇锆。使用Cp（2）ZrHCl可将此类酰胺铝平稳地还原为相应的亚胺，且收率很高。此外，使用低价钛物质或三乙基硅烷也可将酰胺铝还原为亚胺。在这些替代程序中，在标题转换中完全消除了Cp（2）ZrHCl的使用。
• Lysosometropic detergent therapeutic agents
  申请人：Merck & Co., Inc.

  公开号：US04719312A1

  公开（公告）日：1988-01-12

  The present invention is concerned with the preparation of lysosomotropic detergent agents and pharmaceutical composition useful in the treatment of cancer. These compounds are amine derivatives having a pK of 3.5 of the general structure ##STR1## in which R.sub.1 is C.sub.8-30 alkyl, C.sub.8-30 -alkenyl, substituted C.sub.4-30 alkyl or substituted C.sub.4-30 -alkenyl; R.sub.2 is hydrogen or C.sub.1-4 alkyl and Y is an electron withdrawing group, to control the pK, selected from trifluoroethyl, and difluoroethyl.

  本发明涉及制备溶酶体靶向性清洁剂剂和用于癌症治疗的药物组合物。这些化合物是具有pK值为3.5的胺衍生物，其一般结构为##STR1##其中R.sub.1为C.sub.8-30烷基，C.sub.8-30烯基，取代的C.sub.4-30烷基或取代的C.sub.4-30烯基；R.sub.2为氢或C.sub.1-4烷基，Y为电子吸引基，以控制pK值，所选自三氟乙基和二氟乙基。
• System for delivering therapeutic agents into living cells and cells nuclei
  申请人：Segev David

  公开号：US20060160763A1

  公开（公告）日：2006-07-20

  A novel class of oligomeric compounds designed for forming conjugates with biologically active substances and delivering these substances to a desired bodily target are disclosed. Novel conjugates of these oligomeric compounds and biologically active moieties, pharmaceutical compositions containing such conjugates, and uses thereof as delivery systems for delivering the biologically active substances to a desired target are further disclosed. Processes of preparing the conjugates and the oligomeric compounds and novel intermediates designed for and used in these processes are also disclosed.

  本发明披露了一种新型寡聚化合物，旨在与生物活性物质形成共轭物，并将这些物质传递到所需的身体靶点。本发明还披露了这些寡聚化合物和生物活性基团的新型共轭物，包含这种共轭物的药物组合物以及将其用作传递生物活性物质到所需靶点的传递系统的用途。本发明还披露了制备共轭物和寡聚化合物的过程以及设计和用于这些过程的新型中间体。
• Lysosomotropic fluorinated amine therapeutic agents and compositions containing them
  申请人：Merck & Co., Inc.

  公开号：EP0009944A2

  公开（公告）日：1980-04-16

  Compositions useful in the control of fertility, the inhibition of malignant cell growth, and the control of other diseases which accumulate macrophages at the disease site, comprising a pharmaceutical carrier and lysosomotropic substance comprising a weakly basic amine of pK 4.5 to 9 containing at least one hydrophobic substituent or a peptide conjugate hydrolyzable by lysosomal enzymes to a biologically active substance. Certain of the amines, viz. those of formula : in which R is an alkyl substituent of from 8-30 carbon atoms, R is hydrogen or alkyl, and R2 is fluoroloweralkyl of 2-3 carbons, are novel and constitute another embodiment of the present invention. The compositions of the present invention are used to inhibit or alter the function of lysosome-bearing cells.

  可用于控制生育、抑制恶性细胞生长和控制在疾病部位聚集巨噬细胞的其他疾病的组合物，包括药物载体和溶酶体促进物质，溶酶体促进物质包括pK 4.5至9的弱碱性胺，其中含有至少一个疏水取代基，或可被溶酶体酶水解为生物活性物质的肽轭合物。 某些胺，即式中：R为8-30个碳原子的烷基取代基，R为氢或烷基，R2为2-3个碳原子的氟代烷基的胺，是新颖的，构成本发明的另一个实施方案。 本发明的组合物用于抑制或改变含溶酶体细胞的功能。