4-((4-甲氧基苯基)甲氧基)-3-氧代丁酸甲酯 | 921209-92-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-((4-甲氧基苯基)甲氧基)-3-氧代丁酸甲酯
• 英文名称: 4-(4-methoxybenzyloxy)-3-oxobutyric acid methyl ester
• 英文别名: Methyl 4-[(4-methoxyphenyl)methoxy]-3-oxobutanoate
• CAS: 921209-92-9
• 化学式: C₁₃H₁₆O₅
• 分子量: 252.267
• InChiKey: PJDFBQWQRHRSCF-UHFFFAOYSA-N

物化性质

• 沸点：
  373.5±27.0 °C(Predicted)
• 密度：
  1.150±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  4-((4-甲氧基苯基)甲氧基)-3-氧代丁酸甲酯 在 N-溴代丁二酰亚胺(NBS) 、 碳酸氢钠 作用下， 以 乙腈 为溶剂， 反应 15.0h， 生成 methyl 8-(((benzyloxy)carbonyl)amino)-2-(((4-methoxybenzyl)oxy)methyl)imidazo[1,2-a]pyridine-3-carboxylate
  参考文献：
  名称：

  取代的咪唑并[1,2-a]吡啶作为β-链肽模拟物

  摘要：

  描述了基于咪唑并[1,2- a ]吡啶支架的新型构象扩展二肽替代物。有效合成并掺入宿主肽可在骨架的一个面上提供具有天然侧链功能和氢键元素的结构。NMR 的结构分析表明，模型肽模拟物在溶液中采用 β 链状构象。

  DOI：

  10.1021/ol302850n
• 作为产物：
  描述：

  4-氯乙酰乙酸甲酯 、 4-甲氧基苄醇 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 4-((4-甲氧基苯基)甲氧基)-3-氧代丁酸甲酯
  参考文献：
  名称：

  [EN] SUBSTITUTED 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES
  [FR] COMPOSES AMIDE D'ACIDE 3-AMINO-THIENO[2,3-b]PYRIDINE-2-CARBOXYLIQUE SUBSTITUES ET PROCESSUS DE PREPARATION ET D'UTILISATION DE CES COMPOSES

  摘要：

  公开的是式(I)的化合物，其中R1和R2如本文所定义，这些化合物可用作IκB激酶（IKK）复合物激酶活性的抑制剂。因此，这些化合物在治疗IKK介导的疾病，包括自身免疫疾病、炎症性疾病和癌症方面是有用的。还公开了包含这些化合物的药物组合物以及制备这些化合物的方法。

  公开号：

  WO2003103661A1

文献信息

• Process for producing optically active gamma-butyrolactone
  申请人：——

  公开号：US20030105341A1

  公开（公告）日：2003-06-05

  This invention provides a novel process for producing optically active 3-hydroxy-&ggr;-butyrolactone in a short step, which is superior economically and in efficiency and industrially suitable by using a starting material which is inexpensive and easily available and reagents easy to handle. This invention relates to a process for producing optically active 3-hydroxy-&ggr;-butyrolactone represented by formula I: 1 wherein the symbol * means an asymmetric carbon atom, which comprises hydrogenating an optically active 4-substituted oxy-3-hydroxybutyrate represented by formula II: 2 wherein R 1 represents a C 1-4 lower alkyl group, R 2 represents a protective group for a hydroxyl group deprotected by hydrogenation with a heterogeneous hydrogenation catalyst, and the symbol * has the same meaning as defined above, in the presence of a heterogeneous hydrogenation catalyst and an acidic substance followed by deprotection and simultaneous ring closure thereof.

  本发明提供了一种新的生产光学活性3-羟基-γ-丁内酯的工艺，该工艺步骤短，经济高效，适合工业应用，使用的起始材料廉价易得，试剂易于处理。本发明涉及一种生产光学活性3-羟基-γ-丁内酯的工艺，其化学式为I:1，其中符号*表示不对称碳原子，包括在异质催化剂和酸性物质的存在下，氢化化合式II:2所代表的光学活性4-取代氧基-3-羟基丁酸酯，其中R1表示C1-4较低烷基基团，R2表示羟基的保护基，通过脱保护和同时环闭反应。
• Synthesis of the Tricyclic Core of 5α-Capnellenols Using Asymmetric Heck Reaction-Carbanion Capture Process
  作者：Masakatsu Shibasaki、Wataru Itano、Takashi Ohshima

  DOI：10.1055/s-2006-951537

  日期：2006.11

  The tricyclic core of 5α-capnellenols was synthesized using an asymmetric Heck reaction-carbanion capture process and an intramolecular nitrile oxide cycloaddition as key ring construction steps. Moreover, the desired C5-α-OH product was obtained through a retroaldol and aldol epimerization process of the C5-β-OH tricyclic compound.

  5α-capnellenols 的三环核心是使用不对称 Heck 反应碳负离子捕获过程和分子内氧化腈环加成作为关键环构建步骤合成的。此外，所需的C5-α-OH 产物是通过C5-β-OH 三环化合物的retroaldol 和aldol差向异构化过程获得的。
• Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses
  申请人：Cywin L. Charles

  公开号：US20050288285A1

  公开（公告）日：2005-12-29

  Disclosed are compounds of formula (I): wherein R 1 and R 2 are defined herein, which are useful as inhibitors of the kinase activity of the IκB kinase (IKK) complex. The compounds are therefore useful in the treatment of IKK mediated diseases including autoimmune diseases inflammatory diseases and cancer. Also disclosed are pharmaceutical compositions comprising these compounds and processes for preparing these compounds.

  本发明涉及化合物(I)的公开，其中R1和R2在此定义，这些化合物可用作IκB激酶（IKK）复合物的激酶活性抑制剂。因此，这些化合物可用于治疗由IKK介导的疾病，包括自身免疫性疾病、炎症性疾病和癌症。还公开了包含这些化合物的药物组合物和制备这些化合物的过程。
• Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20040053957A1

  公开（公告）日：2004-03-18

  Disclosed are compounds of formula (I): 1 wherein R 1 and R 2 are defined herein, which are useful as inhibitors of the kinase activity of the I&kgr;B kinase (IKK) complex. The compounds are therefore useful in the treatment of IKK mediated diseases including autoimmune diseases inflammatory diseases and cancer. Also disclosed are pharmaceutical compositions comprising these compounds and processes for preparing these compounds.

  本发明公开了式(I)的化合物：其中R1和R2在此定义，这些化合物可用作IκB激酶（IKK）复合物的激酶活性抑制剂。因此，这些化合物可用于治疗IKK介导的疾病，包括自身免疫性疾病、炎症性疾病和癌症。本发明还公开了包含这些化合物的制药组合物和制备这些化合物的过程。
• Pyrrolopyridazinone Compound
  申请人：Hagihara Masahiko

  公开号：US20090036453A1

  公开（公告）日：2009-02-05

  The present invention discloses a pyrrolopyridazinone compound represented by the formula (1): wherein R 1 represents C 1 -C 2 alkyl group or halogeno C 1 -C 2 alkyl group, R 2 repersents C 3 -C 5 cycloalkyl group, (C 3 -C 5 cycloalkyl)C 1 -C 2 alkyl group or C 1 -C 3 alkyl group, R 3 represents hydrogen atom, or methylene group or cis-vinylene group for forming substituted oxygen-containing hetero ring in combination with group —O—R 2 , R 4 represents hydrogen atom, halogen atom, C 1 -C 8 alkyl group, C 2 -C 6 alkenyl group, C 2 -C 6 alkynyl group, hydroxy C 3 -C 6 alkenyl group, hydroxy C 3 -C 6 alkynyl group, C 1 -C 6 alkyl group substituted by substituent(s) selected from Substituent group (a), C 3 -C 6 cycloalkyl group which may be substituted by substituent(s) selected from Substituent group (b), “C 1 -C 3 alkyl group which is substituted by C 3 -C 6 cycloalkyl group which may be substituted by substituent(s) selected from Substituent group (b), and which may be substituted by a hydroxy group”, an aromatic ring group or heteroaromatic ring group each of which may be substituted by a substituent(s) selected from Substituent group (c) or “C 1 -C 2 alkyl group which is substituted by aromatic ring group or heteroaromatic ring group each of which may be substituted by group(s) selected from Substituent group (c), and which may be substituted by a hydroxy group”, Substituent group (a) represents a halogen atom, hydroxy group, cyano group, carboxy group, C 1 -C 5 alkoxy group, halogeno C 1 -C 4 alkoxy group, C 3 -C 6 cycloalkoxy group, (C 3 -C 6 cycloalkyl)C 1 -C 2 alkoxy group, C 1 -C 4 alkoxycarbonyl group, C 2 -C 4 alkanoyl group, C 2 -C 4 alkanoyloxy group or C 1 -C 4 alkyl-substituted amino group, Substituent group (b) represents a hydroxy group or a halogen atom, Substituent group (c) represents a halogen atom, a hydroxy group, a cyano group, a nitro group, a carboxy group, C 1 -C 5 alkoxy group, C 1 -C 4 alkoxycarbonyl group, C 2 -C 4 alkanoyloxy group, C 1 -C 4 alkyl-substituted amino group or a C 1 -C 4 alkyl group which may be substituted by a substituent(s) selected from the group consisting of (a halogen atom, a hydroxy group and a carboxy group), or a pharmaceutically acceptable salt thereof.

  本发明公开了一种由式（1）表示的吡咯吡啶二酮化合物：其中，R1代表C1-C2烷基或卤代C1-C2烷基，R2代表C3-C5环烷基、（C3-C5环烷基）C1-C2烷基或C1-C3烷基，R3代表氢原子，或与基团-O-R2结合形成取代含氧杂环的亚甲基或顺式乙烯基，R4代表氢原子、卤素原子、C1-C8烷基、C2-C6烯基、C2-C6炔基、羟基C3-C6烯基、羟基C3-C6炔基、由从取代基团（a）中选择的取代基团取代的C1-C6烷基，可由从取代基团（b）中选择的取代基团取代的C3-C6环烷基，可由从取代基团（b）中选择的取代基团取代的C1-C3烷基，且可由羟基取代，芳香环基或杂芳香环基，每个都可由从取代基团（c）中选择的取代基团取代或由取代基团（c）选择的基团取代的C1-C2烷基，且可由羟基取代，取代基团（a）表示卤素原子、羟基、氰基、羧基、C1-C5烷氧基、卤代C1-C4烷氧基、C3-C6环烷氧基、（C3-C6环烷基）C1-C2烷氧基、C1-C4烷氧羰基、C2-C4酰基、C2-C4酰氧基或C1-C4烷基取代的氨基基团，取代基团（b）表示羟基或卤素原子，取代基团（c）表示卤素原子、羟基、氰基、硝基、羧基、C1-C5烷氧基、C1-C4烷氧羰基、C2-C4酰氧基、C1-C4烷基取代的氨基基团或可由从由卤素原子、羟基和羧基组成的基团中选择的取代基团取代的C1-C4烷基，或其药学上可接受的盐。