3-ethenyl-4-tert-butylbenzoyl chloride | 933066-18-3

• 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-ethenyl-4-tert-butylbenzoyl chloride
• 英文别名: 4-Tert-butyl-3-ethenylbenzoyl chloride；4-tert-butyl-3-ethenylbenzoyl chloride
• CAS: 933066-18-3
• 化学式: C₁₃H₁₅ClO
• 分子量: 222.715
• InChiKey: BDVPVSMFBSUDCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  rel-(2R,4S,5R)-4-(pyrazin-2-yl)-2-(1,3-thiazol-4-ylmethyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid tert-butyl ester 、 3-ethenyl-4-tert-butylbenzoyl chloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 生成 rel-(2R,4S,5R)-1-(3-ethenyl-4-tert-butylbenzoyl)-4-(pyrazin-2-yl)-2-(1,3-thiazol-4-ylmethyl)-5-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid, tert-butyl ester
  参考文献：
  名称：

  WO2007/39143

  摘要：

  公开号：
• 作为产物：
  描述：

  3-ethenyl-4-tert-butylbenzoic acid 在 N,N-二乙基甲酰胺 草酰氯 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 3-ethenyl-4-tert-butylbenzoyl chloride
  参考文献：
  名称：

  WO2007/39142

  摘要：

  公开号：

文献信息

• 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。
• C4-SPIRO-PYRROLIDINE ANTIVIRALS
  申请人：Or Yat Sun

  公开号：US20090022689A1

  公开（公告）日：2009-01-22

  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.
• Pyrrolidine Derivatives
  申请人：Qiu Yao-Ling

  公开号：US20090047247A1

  公开（公告）日：2009-02-19

  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.
• [EN] C (2) -HETEROARYLMETHYL-C (4) -PYRAZIN-2-YL ACYL PYRROLIDINE COMPOUNDS AND THEIR USER FOR TREATING VIRAL INFECTIONS, ESPECIALLY HEPATITICS C (HCV)<br/>[FR] COMPOSES DE C (2) -HETEROARYLMETHYL-C (4) -PYRAZIN-2-YL ACYL PYRROLIDINE ET LEUR UTILISATION POUR TRAITER DES INFECTIONS VIRALES, EN PARTICULIER LE VHC
  申请人：GLAXO GROUP LTD

  公开号：WO2007039143A1

  公开（公告）日：2007-04-12

  [EN] Anti-viral agents of Formula (Ia) : wherein A represents hydroxy; B represents -C(O)R³; D represents 1,3-thiazol-2-yl; E represents pyrazin-2-yl; G represents 1,3-thiazol-4-ylmethyl or 1H-pyrazol-1-ylmethyl; R³ represents 4-tert-butyl-3-ethenylphenyl or 4-tert-butyl-5-ethenyl-2-fluorophenyl; and salts, solvates and esters thereof; provided that when A is esterified to form -OR where R is selected from branched chain alkyl, then R is other than tert-butyl, processes for their preparation and their use in HCV treatment are provided.
  [FR] L'invention porte sur des agents antiviraux de formule (Ia) dans laquelle A représente hydroxy; B représente -C(O)R^3, D représente 1,3-thiazol-2-yl; E représente pyrazin-2-yl; G représente 1,3-thiazol-4-ylméthyle ou 1H-pyrazol-1-ylméthyle; R³ représente 4-tert-butyl-3-éthénylphényle ou 4-tert-butyl-5-éthényl-2-fluorophényle; et sur des sels, solvates et esters desdits composés, à condition que, lorsque A est estérifié pour former un groupe OR, R étant choisi dans un groupe alkyle à chaîne ramifiée, alors R est différent de tert-butyl; l'invention concerne également des procédés de préparation et d'utilisation desdits composés dans le traitement du VHC.
• [EN] C (2) -HETEROARYLMETHYL-C (4) -METHOXYMETHYL ACYL PYRROLIDINE COMPOUNDS AND THEIR USE FOR TREATING VIRAL INFECTIONS, ESPECIALLY HEPATITIS C VIRUS<br/>[FR] COMPOSES DE HETEROARYLMETHYL-C (4) -METHOXYMETHYL ACYL PYRROLIDINE ET LEUR UTILISATION DANS LE TRAITEMENT D'INFECTIONS VIRALES, EN PARTICULIER DU VIRUS DE L'HEPATITE C
  申请人：GLAXO GROUP LTD

  公开号：WO2007039142A1

  公开（公告）日：2007-04-12

  [EN] Anti-viral agents of Formula (Ia): wherein A represents hydroxyl; D represents 4-tert-butyl-3-ethenylphenyl or 4-tert-butyl-5-ethenyl-2-fluorophenyl; E represents 1,3-thiazol-2-yl; G represents methoxymethyl; J represents 1,3-thiazol-4-ylmethyl or 1H-pyrazol-1-ylmethyl; and salts, solvates and esters thereof; provided that when A is esterified to form -OR where R is selected from branched chain alkyl, then R is other than tert-butyl, processes for their preparation and their use in HCV treatment are provided.
  [FR] L'invention porte sur des agents antiviraux de formule (Ia) dans laquelle A représente hydroxyle; D représente 4-tert-butyl-3-éthénylphényle ou 4-tert-butyl-5-ethenyl-2-fluorophényle; E représente 1,3-thiazol-2-yl; G représente méthoxyméthyle; J représente 1,3-thiazol-4-ylméthyle ou 1H-pyrazol-1-ylméthyle; et sur des sels, solvates et esters desdits composés, à condition que, lorsque A est estérifié pour former un groupe OR, R étant choisi dans un groupe alkyle à chaîne ramifiée, alors R est différent de tert-butyl; l'invention concerne également des procédés de préparation et d'utilisation desdits composés dans le traitement du VHC.