methanesulfonic acid 2-acetyl-5-bromo-phenyl ester | 865156-82-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methanesulfonic acid 2-acetyl-5-bromo-phenyl ester
• 英文别名: Methanesulfonic acid 2-acetyl-5-bromophenyl ester；(2-acetyl-5-bromophenyl) methanesulfonate
• CAS: 865156-82-7
• 化学式: C₉H₉BrO₄S
• 分子量: 293.138
• InChiKey: XABMGBQPGZGZLG-UHFFFAOYSA-N

物化性质

• 沸点：
  427.8±45.0 °C(Predicted)
• 密度：
  1.608±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methanesulfonic acid 2-acetyl-5-bromo-phenyl ester 在 正丁基锂 、 ammonium acetate 作用下， 以 四氢呋喃 为溶剂， 反应 144.0h， 生成 1,3-dimethylindazole-6-carboxylic acid
  参考文献：
  名称：

  WO2008/65508

  摘要：

  公开号：
• 作为产物：
  描述：

  4-溴-2-羟基苯乙酮 、 甲基磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 methanesulfonic acid 2-acetyl-5-bromo-phenyl ester
  参考文献：
  名称：

  [EN] ORGANIC COMPOUNDS
  [FR] COMPOSES ORGANIQUES

  摘要：

  这项发明涉及一般式(I)的新型氨基醇，其中X、R1、R2、R3、R4、R5和R6的定义详细描述在说明书中，以及它们的制备方法和将这些化合物用作药物，特别是作为肾素抑制剂。

  公开号：

  WO2005090304A1

文献信息

• [EN] 5-AMINO-4-HYDROXY-7-(1H-INDOLMETHYL)-8-METHYLNONAMIDE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION<br/>[FR] DERIVE DE 5-AMINO-4-HYDROXY-7-(1H-INDOLMETHYL)-8-METHYLNONAMIDE UTILISES EN TANT QU'INHIBITEURS DE RENINE DANS LE TRAITEMENT DE L'HYPERTENSION
  申请人：SPEEDEL EXPERIMENTA AG

  公开号：WO2005090305A1

  公开（公告）日：2005-09-29

  The application relatés to novel alkanamides of the general formula (I) where X is -CH2- or >CH-OH; (A) R1 is e.g. an optionally substituted heterocyclyl radical or an optionally substituted polycyclic, unsaturated hydrocarbon radical where X is hydroxymethylene; R2 is C1-C6-alkyl or C3-C6-cydoalkyl; R3 are each independently H, C1-C6-alkyl, C1-6-alkoxycarbonyl or C1-C6-alkanoyl; R4 is C1-C6-alkyl, C3-C6-cycloalkyl, C2-C6-alkenyl or unsubstituted or substituted aryl­C1-C6-alkyl; R5 is Cl-C6-alkyl, C1-C6-hydroxyalkyl, C1-C6-alkoxy-C1-C6-alkyl, C1-C6-alkanoyloxy­ C1-C6-alkyl, C1-C6-aminoalkyl, C1-C6-alkylamino-C1-C6-alkyl, C1-C6-dialkylamino-Cl-C6-alkyl, C1-C6-alkanoylamido-C1-C6-alkyl, HO(O)C-C1-C6-alkyl, C1-C6-alkyl-O-(O)C-C1-C6-alkyl, H2N-C(O)-C1-C6-alkyl, C1-C6-alkyl-HN-C(O)-C1-C6-alkyl, (C1,-C6-alkyl)2N-C(O)-C1-C6-alkyl, C2-C8-alkenyl, C2-C8-alkynyl, cyano-C1-C6-alkyl, halo-Cl-C6-alkyl, optionally substituted aryl-­Co-C6-alkyl, optionally substituted C3-C8-cycloalkyl-Co-C6-alkyl or optionally substituted heterocydyl-Co-C6-alkyl; to a process for their preparation and to the use of these compounds as medicines, especially as renin inhibitors for the treatment of hypertension.

  该申请涉及一般式（I）的新型烷酰胺，其中X为-CH2-或>CH-OH；（A）R1例如是一个可选择取代的杂环基团或一个可选择取代的多环不饱和碳氢基团，其中X为羟甲基；R2为C1-C6-烷基或C3-C6-环烷基；R3各自独立地为H、C1-C6-烷基、C1-6-烷氧羰基或C1-C6-烷酰基；R4为C1-C6-烷基、C3-C6-环烷基、C2-C6-烯基或未取代或取代的芳基-C1-C6-烷基；R5为Cl-C6-烷基、C1-C6-羟基烷基、C1-C6-烷氧基-C1-C6-烷基、C1-C6-烷酰氧基-C1-C6-烷基、C1-C6-氨基烷基、C1-C6-烷基氨基-C1-C6-烷基、C1-C6-二烷基氨基-Cl-C6-烷基、C1-C6-烷酰胺基-C1-C6-烷基、HO(O)C-C1-C6-烷基、C1-C6-烷基-O-(O)C-C1-C6-烷基、H2N-C(O)-C1-C6-烷基、C1-C6-烷基-HN-C(O)-C1-C6-烷基、（C1,-C6-烷基）2N-C(O)-C1-C6-烷基、C2-C8-烯基、C2-C8-炔基、氰基-C1-C6-烷基、卤代Cl-C6-烷基、可选择取代的芳基-Co-C6-烷基、可选择取代的C3-C8-环烷基-Co-C6-烷基或可选择取代的杂环基-Co-C6-烷基；以及它们的制备方法和将这些化合物用作药物的用途，特别是作为肾素抑制剂治疗高血压。
• Organic Compounds
  申请人：Herold Peter

  公开号：US20080058320A1

  公开（公告）日：2008-03-06

  The invention relates to novel amino alcohols of the general formula (I) where X, R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are each as defined in detail in the description, to a process for their preparation and to the use of these compounds as medicines, in particular as renin inhibitors.

  本发明涉及一种新型的氨基醇，其通式为(I)，其中X，R1，R2，R3，R4，R5和R6分别如详细描述中所定义，以及其制备方法和这些化合物作为药物的用途，特别是作为肾素抑制剂。
• Spiroketone Acetyl-CoA Carboxylase Inhibitors
  申请人：Corbett Jeffrey Wayne

  公开号：US20090270435A1

  公开（公告）日：2009-10-29

  The invention provides compounds of Formula (1) or a pharmaceutically acceptable salt of said compound, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 and R 9 are as described herein; pharmaceutical compositions thereof; and the use thereof in treating mammals suffering from the condition of being overweight.

  本发明提供了式（1）的化合物或其药学上可接受的盐，其中R1、R2、R3、R4、R5、R6、R7、R8和R9如本文所述；其药物组成物；以及将其用于治疗患有超重症的哺乳动物。
• 5-Amino-4-Hydroxy-7-(1H-Indolmethyl)-8-Methylnonamide Derivatives as Renin Inhibitors for the Treatment of Hypertension
  申请人：Herold Peter

  公开号：US20080280895A1

  公开（公告）日：2008-11-13

  The application relates to novel alkanamides of the general formula (I) where X is —CH 2 — or >CH—OH; (A) R 1 is e.g. an optionally substituted heterocyclyl radical or an optionally substituted polycyclic, unsaturated hydrocarbon radical where X is hydroxymethylene; R 2 is C 1 -C 6 -alkyl or C 3 -C 6 -cydoalkyl; R 3 are each independently H, C 1 -C 6 -alkyl, C 1-6 -alkoxycarbonyl or C 1 -C 6 -alkanoyl; R 4 is C 1 -C 6 -alkyl, C 3 -C 6 -cycloalkyl, C 2 -C 6 -alkenyl or unsubstituted or substituted arylC 1 -C 6 -alkyl; R 5 is C 1 -C 6 -alkyl, C 1 -C 6 -hydroxyalkyl, C 1 -C 6 -alkoxy-C 1 -C 6 -alkyl, C 1 -C 6 -alkanoyloxy C 1 -C 6 -alkyl, C 1 -C 6 -aminoalkyl, C 1 -C 6 -alkylamino-C 1 -C 6 -alkyl, C 1 -C 6 -dialkylamino-C 1 -C 6 -alkyl, C 1 -C 6 -alkanoylamido-C 1 -C 6 -alkyl, HO(O)C—C 1 -C 6 -alkyl, C 1 -C 6 -alkyl-O—(O)C—C 1 -C 6 -alkyl, H 2 N—C(O)—C 1 -C 6 -alkyl, C 1 -C 6 -alkyl-HN—C(O)—C 1 -C 6 -alkyl, (C 1 , —C 6 -alkyl) 2 N—C(O)—C 1 -C 6 -alkyl, C 2 -C 8 -alkenyl, C 2 -C 8 -alkynyl, cyano-C 1 -C 6 -alkyl, halo-C 1 -C 6 -alkyl, optionally substituted aryl-C o -C 6 -alkyl, optionally substituted C 3 -C 8 -cycloalkyl-C o -C 6 -alkyl or optionally substituted heterocydyl-C o -C 6 -alkyl; to a process for their preparation and to the use of these compounds as medicines, especially as renin inhibitors for the treatment of hypertension.

  该申请涉及到通式（I）的新型烷基酰胺，其中X为—CH2—或>CH—OH；（A）R1为例如可选择取代的杂环基基团或可选择取代的多环不饱和碳氢基团，其中X为羟甲基；R2为C1-C6-烷基或C3-C6-环烷基；R3各自独立地为H、C1-C6-烷基、C1-6-烷氧羰基或C1-C6-酰基；R4为C1-C6-烷基、C3-C6-环烷基、C2-C6-烯基或未取代或取代的芳基C1-C6-烷基；R5为C1-C6-烷基、C1-C6-羟基烷基、C1-C6-烷氧基-C1-C6-烷基、C1-C6-酰氧-C1-C6-烷基、C1-C6-氨基烷基、C1-C6-烷基氨基-C1-C6-烷基、C1-C6-二烷基氨基-C1-C6-烷基、C1-C6-酰胺基-C1-C6-烷基、HO(O)C—C1-C6-烷基、C1-C6-烷基-O—(O)C—C1-C6-烷基、H2N—C(O)—C1-C6-烷基、C1-C6-烷基-HN—C(O)—C1-C6-烷基、（C1，—C6-烷基）2N—C(O)—C1-C6-烷基、C2-C8-烯基、C2-C8-炔基、氰基-C1-C6-烷基、卤代-C1-C6-烷基、可选择取代的芳基-Co-C6-烷基、可选择取代的C3-C8-环烷基-Co-C6-烷基或可选择取代的杂环基-Co-C6-烷基；以及它们的制备方法和这些化合物作为药物的用途，特别是作为肾素抑制剂治疗高血压。
• 5-amino 4-hydroxy-7-(1H-indolmethyl)-8-methylnonamide derivatives as renin inhibitors for the treatment of hypertension
  申请人：Novartis AG

  公开号：US07851634B2

  公开（公告）日：2010-12-14

  The application relates to novel alkanamides of the general formula (I) where X is —CH2— or >CH—OH; (A) R1 is e.g. an optionally substituted heterocyclyl radical or an optionally substituted polycyclic, unsaturated hydrocarbon radical where X is hydroxymethylene; R2 is C1-C6-alkyl or C3-C6-cydoalkyl; R3 are each independently H, C1-C6-alkyl, C1-6-alkoxycarbonyl or C1-C6-alkanoyl; R4 is C1-C6-alkyl, C3-C6-cycloalkyl, C2-C6-alkenyl or unsubstituted or substituted arylC1-C6-alkyl; R5 is C1-C6-alkyl, C1-C6-hydroxyalkyl, C1-C6-alkoxy-C1-C6-alkyl, C1-C6-alkanoyloxy C1-C6-alkyl, C1-C6-aminoalkyl, C1-C6-alkylamino-C1-C6-alkyl, C1-C6-dialkylamino-C1-C6-alkyl, C1-C6-alkanoylamido-C1-C6-alkyl, HO(O)C—C1-C6-alkyl, C1-C6-alkyl-O—(O)C—C1-C6-alkyl, H2N—C(O)—C1-C6-alkyl, C1-C6-alkyl-HN—C(O)—C1-C6-alkyl, (C1,-C6-alkyl)2N—C(O)—C1-C6-alkyl, C2-C8-alkenyl, C2-C8-alkynyl, cyano-C1-C6-alkyl, halo-C1-C6-alkyl, optionally substituted aryl-Co-C6-alkyl, optionally substituted C3-C8-cycloalkyl-Co-C6-alkyl or optionally substituted heterocydyl-Co-C6-alkyl; to a process for their preparation and to the use of these compounds as medicines, especially as renin inhibitors for the treatment of hypertension.

  该申请涉及一般式（I）的新型烷酰胺，其中X为—CH2—或>CH—OH;（A）R1为例如可选取代的杂环基团或可选取代的多环不饱和碳氢基团，其中X为羟甲基; R2为C1-C6-烷基或C3-C6-环烷基; R3各自独立地为H、C1-C6-烷基、C1-6-烷氧羰基或C1-C6-酰基; R4为C1-C6-烷基、C3-C6-环烷基、C2-C6-烯基或未取代或取代的芳基C1-C6-烷基; R5为C1-C6-烷基、C1-C6-羟基烷基、C1-C6-烷氧基-C1-C6-烷基、C1-C6-酰氧基-C1-C6-烷基、C1-C6-氨基烷基、C1-C6-烷基氨基-C1-C6-烷基、C1-C6-二烷基氨基-C1-C6-烷基、C1-C6-酰胺基-C1-C6-烷基、HO（O）C—C1-C6-烷基、C1-C6-烷基-O—（O）C—C1-C6-烷基、H2N—C（O）—C1-C6-烷基、C1-C6-烷基-HN—C（O）—C1-C6-烷基、（C1，-C6-烷基）2N—C（O）—C1-C6-烷基、C2-C8-烯基、C2-C8-炔基、氰基-C1-C6-烷基、卤基-C1-C6-烷基、可选取代的芳基-Co-C6-烷基、可选取代的C3-C8-环烷基-Co-C6-烷基或可选取代的杂环基-Co-C6-烷基; 以及它们的制备方法和这些化合物作为药物的用途，特别是作为肾素抑制剂治疗高血压。