4-(1,1-dimethylethyl)-3-(methoxy)benzaldehyde | 1017060-05-7

• 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: 4-(1,1-dimethylethyl)-3-(methoxy)benzaldehyde
• 英文别名: 4-Tert-butyl-3-methoxybenzaldehyde
• CAS: 1017060-05-7
• 化学式: C₁₂H₁₆O₂
• mdl: MFCD07783711
• 分子量: 192.258
• InChiKey: SMWWWWLTDRAHEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(1,1-dimethylethyl) 4-methyl (2S,4S,5R)-1-{[4-(1,1-dimethylethyl)-3-(methoxy)phenyl]carbonyl}-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)-2,4-pyrrolidinedicarboxylate 在 lithium aluminium tetrahydride 作用下， 生成 1,1-dimethylethyl (4S,5R)-1-{[4-(1,1-dimethylethyl)-3-(methyloxy)phenyl]carbonyl}-4-(hydroxymethyl)-2-(2-methylpropyl)-5-(1,3-thiazol-2-yl)-L-prolinate 、 4-(1,1-dimethylethyl)-3-(methoxy)benzaldehyde
  参考文献：
  名称：

  N-酰基吡咯烷的不对称合成抑制HCV聚合酶

  摘要：

  描述了多公斤级的高度取代的N-酰基吡咯烷的实际不对称合成。构建三个立体中心的关键步骤是丙烯酸甲酯和由1-亮氨酸t制备的亚氨基酯的[3 + 2]环加成反应。丁酯盐酸盐和2-噻唑甲醛。通过乙酸银和金鸡纳生物碱（特别是对苯二酚）的络合物，具有完全的非对映异构体控制和高达87％的对映体控制，可实现新型的不对称催化。生物碱既用作配体，又用作形成甲亚胺叶立德或1,3-偶极的基础。实验表明，对苯二酚的羟基是观察到的对映选择性的关键元素。环加成方法也适用于甲基乙烯基酮，根据所使用的反应条件，可以接触到4-乙酰基吡咯烷的α-或β-受体。该合成还强调了有效的N酰化，选择性O-对N-甲基化，以及由NaB（OAc）3 H催化的NaBH 4 -MeOH独特的酯还原反应，不仅可以实现出色的化学选择性，而且还可以避免形成不需要的但热力学上受人欢迎的差向异构体。从1-亮氨酸叔丁酯盐酸盐以七个线性步骤合成高度官能化的靶标，所有三个分离的中间体均为高度结晶。

  DOI：

  10.1021/jo800062c

文献信息

• SUBSTITUTED HETEROCYCLES AS ANTI-INFECTIVES
  申请人：OR YAT SUN

  公开号：US20090233972A1

  公开（公告）日：2009-09-17

  The present invention discloses compounds of Formulae (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit RNA-containing viruses, particularly the hepatitis C virus (HCV). Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention. The present invention relates to novel antiviral compounds represented herein above, pharmaceutical compositions comprising such compounds, and methods for the treatment or prophylaxis of viral (particularly HCV) infection in a subject in need of such therapy with said compounds.

  本发明公开了化合物的结构式（I），或其药用可接受的盐、酯或前药：这些化合物抑制含有RNA的病毒，特别是丙型肝炎病毒（HCV）。因此，本发明的化合物干扰丙型肝炎病毒的生命周期，并且也可用作抗病毒剂。本发明还涉及包括上述化合物的药物组合物，用于治疗患有HCV感染的受试者。该发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的HCV感染的方法。本发明涉及上述新型抗病毒化合物，包括含有这些化合物的药物组合物，以及用于治疗或预防受试者需要这种治疗的病毒（特别是HCV）感染的方法。
• 4-SUBSTITUTED PYRROLIDINE AS ANTI-INFECTIVES
  申请人：QIU YAO-LING

  公开号：US20090004140A1

  公开（公告）日：2009-01-01

  The present invention discloses compounds of Formulae (I) and (II), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit RNA-containing virus, particularly the hepatitis C virus (HCV). Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention. The present invention relates to novel antiviral compounds represented herein above, pharmaceutical compositions comprising such compounds, and methods for the treatment or prophylaxis of viral (particularly HCV) infection in a subject in need of such therapy with said compounds.

  本发明公开了化合物的化学式（I）和（II），或其药用可接受的盐、酯或前药：这些化合物能够抑制RNA含量的病毒，特别是丙型肝炎病毒（HCV）。因此，本发明的化合物干扰了丙型肝炎病毒的生命周期，也可用作抗病毒剂。本发明还涉及包含上述化合物的药物组合物，用于给患有HCV感染的受试者使用。本发明还涉及通过给予包含本发明化合物的药物组合物来治疗受试者的HCV感染的方法。本发明涉及上述新型抗病毒化合物，包括含有这些化合物的药物组合物，以及用于治疗或预防受试者需要这些化合物治疗的病毒（特别是HCV）感染的方法。
• ANTI-INFECTIVE PYRROLIDINE DERIVATIVES AND ANALOGS
  申请人：Or Yat Sun

  公开号：US20100074863A1

  公开（公告）日：2010-03-25

  The present invention discloses compounds of Formula (I), or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit RNA-containing virus, particularly the hepatitis C virus (HCV). Consequently, the compounds of the present invention interfere with the life cycle of the hepatitis C virus and are also useful as antiviral agents. The present invention further relates to pharmaceutical compositions comprising the aforementioned compounds for administration to a subject suffering from HCV infection. The invention also relates to methods of treating an HCV infection in a subject by administering a pharmaceutical composition comprising the compounds of the present invention. The present invention relates to novel antiviral compounds represented herein above, pharmaceutical compositions comprising such compounds, and methods for the treatment or prophylaxis of viral (particularly HCV) infection in a subject in need of such therapy with said compounds.

  本发明揭示了化合物的式（I）或其药用可接受的盐、酯或前药：这些化合物能够抑制RNA含量病毒，特别是丙型肝炎病毒（HCV）。因此，本发明的化合物干扰了丙型肝炎病毒的生命周期，同时也可作为抗病毒剂使用。本发明还涉及含有上述化合物的药物组合物，用于治疗患有HCV感染的受试者。本发明还涉及通过给予含有本发明化合物的药物组合物来治疗受试者的HCV感染的方法。本发明涉及上述新型抗病毒化合物、含有此类化合物的药物组合物以及用于治疗或预防受试者中需要这些化合物治疗的病毒（特别是HCV）感染的方法。
• [EN] 5-THIAZOLE SUBSTITUTED 2-PYRROLIDINE-CARBOXYLIC ACIDS<br/>[FR] ACIDES 2-PYRROLIDINE-CARBOXYLIQUES A SUBSTITUTION 5-THIAZOLE
  申请人：GLAXO GROUP LTD

  公开号：WO2004060889A1

  公开（公告）日：2004-07-22

  Anti-viral agents of Formula (1a) wherein: RA represents hydroxy; RB represents 4-tert-butylbenzoyl further substituted in the meta-position by halo or C1-3alkoxy; RC represents 2-thiazolyl, 5-methylthiazol-2-yl, or 4-thiazolyl; RD represents methyl; X represents isobutyl; and salts, solvates and esters thereof; provided that when RA is esterified to form -OR where R is selected from straight or branched chain alkyl, arakyl, aryloxyalkyl, or aryl, then R is other than tert-butyl; processes for their preparation and their use in HCV treatment are provided.

  化学式（1a）的抗病毒药剂，其中：RA代表羟基；RB代表4-叔丁基苯甲酰基，进一步在间位被卤素或C1-3烷氧基取代；RC代表2-噻唑基，5-甲基噻唑-2-基，或4-噻唑基；RD代表甲基；X代表异丁基；以及它们的盐、溶剂合物和酯；前提是当RA酯化形成-OR，其中R选自直链或支链烷基、芳基、芳氧基烷基或芳基时，R不是叔丁基；提供了它们的制备方法以及在HCV治疗中的应用。
• Cannabinoid glycoside prodrugs and methods of synthesis
  申请人：Graphium Biosciences, Inc.

  公开号：US11207414B2

  公开（公告）日：2021-12-28

  The present invention relates to cannabinoid glycoside prodrugs suitable for site- and tissue-specific delivery of cannabinoid molecules. The present invention also relates to methods of forming the cannabinoid glycoside prodrugs through glycosyltransferase mediated glycosylation of cannabinoid molecules.

  本发明涉及适用于大麻素分子部位和组织特异性递送的大麻素苷原药。本发明还涉及通过糖基转移酶介导的大麻素分子糖基化形成大麻素苷原药的方法。