(S)-3-hydroxy-5-methylhexa-2-one | 1197951-85-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (S)-3-hydroxy-5-methylhexa-2-one
• 英文别名: (3S)-3-hydroxy-5-methylhexan-2-one
• CAS: 1197951-85-1
• 化学式: C₇H₁₄O₂
• 分子量: 130.187
• InChiKey: LZDPYURTPRCDJG-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (S)-3-hydroxy-5-methylhexa-2-one 、 叔丁基二甲硅基三氟甲磺酸酯 在 2,6-二甲基吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 2.25h， 以64%的产率得到(S)-3-tert-butyldimethylsilyloxy-5-methyl-2-hexanone
  参考文献：
  名称：

  Studies on the C22-C23 Aldol Coupling of Spirangien

  摘要：

  醛醇反应是多酮合成中最重要且多才多艺的方法之一。然而，微妙的导向效应往往非常模糊，阻碍了复杂天然产物合成的进程。在此，我们报告了在螺旋藻合成中关键的醛醇偶联反应的研究。我们确定了在螺旋藻C22-C23醛醇部位立体选择性地形成两种立体异构体的条件。

  DOI：

  10.1055/s-0029-1216918

文献信息

• [EN] HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS<br/>[FR] ANALOGUES DIPEPTIDIQUES D'INHIBITEURS DE L'HEPATITE C
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2006007700A1

  公开（公告）日：2006-01-26

  The present invention relates to compounds of formula (I): wherein R1, R2, R4, n and m are as defined herein and R3 is selected from: (i) -C(O)OR31 wherein R31 is (C1-6)alkyl or aryl, wherein the (C1-6)alkyl is optionally substituted with one to three halogen substituents; (ii) -C(O)NR32R33, wherein R32 and R33 are each independently selected form H, (C1-6)alkyl, and Het; (iii) -SOvR34, wherein v is 1 or 2 and R34 is selected from: (C1-6)alkyl, aryl, Het, and NR32R33 wherein R32 and R33 are as defined above; and (iv) -CO(O)-R35, wherein R35 is selected from (C1-8)alkyl, (C3-7)cycloalkyl-(C1-4)alkyl, aryl, aryl-(C1-6)alkyl, Het and Het-(C1-6)alkyl, each of which are optionally substituted with one or more substituents each independently selected from halo, (C1-6)alkyl, (C3-7)cycloalkyl, aryl, Het, hydroxyl, -O-(C1-6)alkyl, -S-(C1-6)alkyl, -SO-(C1-6)alkyl, -SO2-(C1-6)alkyl, -O-aryl, -S-aryl, -SO-aryl and -SO2-aryl, wherein the aryl portion of the -O-aryl, -S-aryl, -SO-aryl and -SO2-aryl are each optionally substituted with one to five halo substituents. The present invention further relates to pharmaceutical compositions containing the compounds of formula (I) and methods for using these analogs in the treatment of HCV infection.

  本发明涉及以下式(I)的化合物：其中R1、R2、R4、n和m如本文所定义，R3选自：(i)-C(O)OR31，其中R31为(C1-6)烷基或芳基，其中(C1-6)烷基可选择地用一到三个卤素取代基取代；(ii)-C(O)NR32R33，其中R32和R33各自独立地选自H、(C1-6)烷基和Het；(iii)-SOvR34，其中v为1或2，R34选自：(C1-6)烷基、芳基、Het和NR32R33，其中R32和R33如上所定义；和(iv)-CO(O)-R35，其中R35选自(C1-8)烷基、(C3-7)环烷基-(C1-4)烷基、芳基、芳基-(C1-6)烷基、Het和Het-(C1-6)烷基，每种均可选择地用一种或多种取代基取代，每种取代基各自独立地选自卤素、(C1-6)烷基、(C3-7)环烷基、芳基、Het、羟基、-O-(C1-6)烷基、-S-(C1-6)烷基、-SO-(C1-6)烷基、-SO2-(C1-6)烷基、-O-芳基、-S-芳基、-SO-芳基和-SO2-芳基，其中-O-芳基、-S-芳基、-SO-芳基和-SO2-芳基的芳基部分可选择地用一到五个卤素取代基取代。本发明还涉及含有式(I)化合物的药物组合物以及在治疗HCV感染中使用这些类似物的方法。
• PYRIMIDINES AS SODIUM CHANNEL BLOCKERS
  申请人：PURDUE PHARMA L.P.

  公开号：US20140303139A1

  公开（公告）日：2014-10-09

  The present disclosure provides substituted pyrimidine compounds of Formula (I), and the pharmaceutically acceptable salts, prodrugs, and solvates thereof, wherein A 1 , X, A 2 , W 1 , W 2 , E, Z, and R 4 are defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula (I) to treat a disorder responsive to the blockade of sodium channels. Compounds of the present disclosure are especially useful for treating pain.

  本公开提供式（I）的取代嘧啶化合物，以及其药学上可接受的盐、前药和溶剂化物，其中A1、X、A2、W1、W2、E、Z和R4的定义如规范中所述。本公开还涉及使用式（I）的化合物治疗对钠通道阻滞响应的疾病。本公开的化合物特别适用于治疗疼痛。
• PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS
  申请人：Wagaw Seble

  公开号：US20090156800A1

  公开（公告）日：2009-06-18

  The present invention relates to a process for the preparation of macrocyclic compounds that are useful as hepatitis C virus (HCV) protease inhibitor compounds.
• OXIMYL MACROCYCLIC DERIVATIVES
  申请人：Sun Ying

  公开号：US20090191153A1

  公开（公告）日：2009-07-30

  The present invention relates to compounds of Formula I, or pharmaceutically acceptable salts, esters, or prodrugs thereof: which inhibit serine protease activity, particularly the activity of hepatitis C virus (HCV) NS3-NS4A protease. 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 a compound of the present invention.
• US8193346B2
  申请人：——

  公开号：US8193346B2

  公开（公告）日：2012-06-05