diethoxyacetyl chloride | 68057-09-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: diethoxyacetyl chloride
• 英文别名: 2,2-diethoxyacetyl chloride
• CAS: 68057-09-0
• 化学式: C₆H₁₁ClO₃
• 分子量: 166.605
• InChiKey: ZIURWDNGXAWRCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 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：

  邻溴苄胺 、 diethoxyacetyl chloride 在 吡啶 作用下， 以 乙醚 、 甲苯 为溶剂， 反应 0.5h， 以22.8 g的产率得到N-(2-bromobenzyl)-2,2-diethoxyacetamide
  参考文献：
  名称：

  Naphthamides as Novel and Potent Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitors: Design, Synthesis, and Evaluation

  摘要：

  A series of naphthyl-based compounds were synthesized as potential inhibitors of vascular endothelial growth factor (VEGF) receptors. Investigations of structure-activity relationships led to the identification of a series of naphthamides that are potent inhibitors of the VEGF receptor tyrosine kinase family. Numerous analogues demonstrated low nanomolar inhibition of VEGF-dependent human umbilical vein endothelial cell (HUVEC) proliferation, and of these several compounds possessed favorable pharmacokinetic (PK) profiles. In particular, compound 48 demonstrated significant antitumor efficacy against established HT29 human colon adenocarcinoma xenografts implanted in athymic mice. A full account of the preparation, structure-activity relationships, pharmacokinetic properties, and pharmacology of analogues within this series is presented.

  DOI：

  10.1021/jm701097z
• 作为产物：
  描述：

  2,2-diethoxy acetic acid 在 氯化亚砜 作用下， 以 乙醚 为溶剂， 反应 0.5h， 生成 diethoxyacetyl chloride
  参考文献：
  名称：

  Naphthamides as Novel and Potent Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitors: Design, Synthesis, and Evaluation

  摘要：

  A series of naphthyl-based compounds were synthesized as potential inhibitors of vascular endothelial growth factor (VEGF) receptors. Investigations of structure-activity relationships led to the identification of a series of naphthamides that are potent inhibitors of the VEGF receptor tyrosine kinase family. Numerous analogues demonstrated low nanomolar inhibition of VEGF-dependent human umbilical vein endothelial cell (HUVEC) proliferation, and of these several compounds possessed favorable pharmacokinetic (PK) profiles. In particular, compound 48 demonstrated significant antitumor efficacy against established HT29 human colon adenocarcinoma xenografts implanted in athymic mice. A full account of the preparation, structure-activity relationships, pharmacokinetic properties, and pharmacology of analogues within this series is presented.

  DOI：

  10.1021/jm701097z

文献信息

• Heterocycles with a bridging nitrogen atom. 19. Development of routes for the synthesis of oxazoloisoquinolinium salts based on phenacylation of α-methyl-1(3)-isoquinolones
  作者：E. V. Babaev、A. A. Nevskaya、I. V. Dlinnykh、V. B. Rybakov

  DOI：10.1007/s10593-009-0231-9

  日期：2009.1

  Alkylation of 3-methyl-1-isoquinolone and 1-methyl-3-isoquinolone with phenacyl bromides proceeds regioselectively with the formation in the first case of only an N-phenacyl derivative and in the second only the O-derivative. The 5-methyl[1,3]oxazolo[3,2-a]isoquinolinium salt has been synthesized and its reactions with ammonia, morpholine, and sodium methylate have been investigated.

  3-甲基-1-异喹诺酮和1-甲基-3-异喹诺酮与苯甲酰基溴的烷基化在第一种情况下仅形成N-苯甲酰基衍生物，而在第二种情况下仅形成O-衍生物。合成了5-甲基[1,3]恶唑并[3,2- a ]异喹啉盐，并研究了其与氨，吗啉和甲醇钠的反应。
• Cardiotonic agents. Synthesis and inotropic activity of a series of isoquinolin-3-ol derivatives
  作者：Ramesh M. Kanojia、Jeffery B. Press、O. William Lever、Louella Williams、James J. McNally、Alfonso J. Tobia、Robert Falotico、John B. Moore

  DOI：10.1021/jm00402a020

  日期：1988.7

  acid derivatives enhances cardiotonic activity in II in contrast to I, wherein analogous substitution eliminated activity. A linear correlation between contractile force (CF) increase and cyclic nucleotide phosphodiesterase fraction III (PDE-III) inhibition by the title compounds was determined. The isoquinoline derivatives were characteristically short-acting cardiotonic agents with good potency and

  制备了一系列异喹啉-3-醇衍生物（II）作为临床强心药贝马龙酮（ORF 16600，I）的类似物。尽管在许多方面，II的强心活性的结构要求与贝马龙酮相似，但仍需注意系列之间的某些差异。我们的结构活性研究表明，II对烷氧基取代作用的敏感性不如I，并且更重要的是，与I相比，烷基，卤素或烷烃羧酸衍生物对II进行的4取代增强了II的心脏活性，其中类似的取代消除了活性。确定了收缩力（CF）增加与环状核苷酸磷酸二酯酶组分III（PDE-III）对标题化合物的抑制之间的线性关系。
• HETEROCYCLIC ANTIVIRAL COMPOUNDS
  申请人：de Vicente Fidalgo Javier

  公开号：US20100311760A1

  公开（公告）日：2010-12-09

  Compounds having the formula I wherein wherein R 1 , R 2 , R 3 , R 4 , X 1 , X 2 , X 3 and X 4 and as defined herein are Hepatitis C virus NS5b polymerase inhibitors. Also disclosed are compositions and methods for treating an HCV infection and inhibiting HCV replication.

  具有化学式I的化合物，其中R1、R2、R3、R4、X1、X2、X3和X4如本文所定义，是丙型肝炎病毒NS5b聚合酶抑制剂。还公开了治疗HCV感染和抑制HCV复制的组合物和方法。
• Method for producing axial asymmetric compounds, intermediates for producing the same, complexes of transition metals with novel axial asymmetric compounds as the ligands, catalysts for asymmetric hydrogenation, and catalysts for forming asymmetric carbon-carbon bonds
  申请人：Takasago International Corporation

  公开号：US20010047110A1

  公开（公告）日：2001-11-29

  The invention provides a metal complex comprising a ligand and a metal. The ligand is an aminophosphine compound represented by the following formula (1) 1 [Each Ar represents an aryl group optionally substituted with a halogen atom, a lower alkyl group having 1 to 4 carbon atom or an alkoxy group, both Ar's being same or different with each other. R 1 and R 2 represent hydrogen atom, a cycloalkyl group having 5 to 7 carbon atoms, or an alkyl group having 1 to 6 carbon atom optionally substituted with a halogen atom, a lower alkoxy group or phenyl group, with R 1 and R 2 being same or different with each other. Alternatively, one of R 1 and R 2 is hydrogen atom and the other is —COR 3 (R 3 represents a cycloalkyl group having 5 to 7 carbon atoms, a lower alkyl group having 1 to 6 carbon atom optionally substituted with a halogen atom, a lower alkoxy group or phenyl group, a substituted or unsubstituted phenyl group, or a lower alkoxy group having 1 to 6 carbon atom optionally substituted with a cycloalkyl group having 5 to 7 carbon atoms, a halogen atom, a lower alkoxy group or phenyl group) or —SO 2 R 4 (R 4 represents a cycloalkyl group having 5 to 7 carbon atoms, an alkyl group optionally substituted with a halogen atom, a lower alkoxy group or phenyl group, or substituted or unsubstituted phenyl group). n represents 0]. The metal is rhodium, ruthenium, iridium or nickel.

  本发明提供了一种包含配体和金属的金属配合物。该配体是由以下式子（1）表示的氨基膦化合物组成：1[每个Ar代表一个芳基基团，可以选择地用卤原子、具有1到4个碳原子的较低烷基基团或烷氧基取代，两个Ar相同或不同。R1和R2代表氢原子，具有5到7个碳原子的环烷基团或具有1到6个碳原子的烷基基团，可以选择地用卤原子、较低烷氧基或苯基取代，其中R1和R2相同或不同。或者，R1和R2中的一个是氢原子，另一个是-COR3（R3代表具有5到7个碳原子的环烷基团、具有1到6个碳原子的较低烷基基团，可以选择地用卤原子、较低烷氧基或苯基取代，取代或未取代的苯基或具有5到7个碳原子的环烷基团、卤原子、较低烷氧基或苯基取代的具有1到6个碳原子的较低烷氧基）或-SO2R4（R4代表具有5到7个碳原子的环烷基团、可以选择地用卤原子、较低烷氧基或苯基取代的烷基，或取代或未取代的苯基）。n代表0。金属是铑、钌、铱或镍。
• Pesticides
  申请人：——

  公开号：US05114940A1

  公开（公告）日：1992-05-19

  Compound of the formula (I) are disclosed ArQQ.sup.1 C(.dbd.X)NHR.sup.1 (I) or a salt thereof, wherein Ar is an optionally substituted polycyclic ring system containing n rings, where n is the integer 2 or 3, at least n-1 rings being aromatic and containing one to three ring nitrogen atoms and optionally containing one or more additional heteroatoms; Q is an alkyl chain containing 1 to 12 carbon atoms and optionally containing a sulphur or one or two oxygen atoms; Q.sup.1 is a group (C(R.sup.2).dbd.C(R.sup.3)).sub.a --(C(R.sup.4).dbd.C(R.sup.5)) wherein a is 0 or 1, R.sup.2, R.sup.3, R.sup.4 and R.sup.5 are the same or different, at least two being hydrogen and the other two being independently selected from hydrogen, halo, C.sub.1-4 haloalkyl; X is oxygen or sulphur; and R.sup.1 is selected from hydrogen and C.sub.1-8 hydrocarbyl optionally substituted by dioxalanyl, halo, cyano, trifluoromethyl, trifluoromethylthio or C.sub.1-6 alkoxy are described which have activity particularly against arthropod pests. Pesticidal formulations containing the compounds of the formula (1), their use in the control of pests and method for their preparation are also disclosed.

  本发明公开了化合物(I)的复合物或其盐，其化学式为ArQQ.sup.1C(.dbd.X)NHR.sup.1(I)，其中Ar是一个可选取代的多环环系统，包含n个环，其中n是整数2或3，至少n-1个环是芳香环，含有1至3个环氮原子，可选含有一个或多个其他杂原子；Q是一个含有1至12个碳原子的烷基链，可选含有一个硫或一个或两个氧原子；Q.sup.1是一个基团(C(R.sup.2).dbd.C(R.sup.3)).sub.a--(C(R.sup.4).dbd.C(R.sup.5))，其中a为0或1，R.sup.2，R.sup.3，R.sup.4和R.sup.5相同或不同，至少有两个是氢，另外两个独立地选自氢，卤素，C.sub.1-4卤代烷基；X为氧或硫；R.sup.1选自氢和C.sub.1-8烃基，可选取代二氧环烷基，卤素，氰基，三氟甲基，三氟甲硫基或C.sub.1-6烷氧基，其具有特别对节肢动物害虫的活性。还公开了含有化合物(I)的配制物，其在害虫控制中的使用以及其制备方法。