6-(2-phenylethoxy)hexan-2-one

• 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: 6-(2-phenylethoxy)hexan-2-one
• 英文别名: 6-(2-Phenylethoxy)-2-hexanone
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: NODAOPGWWMVMLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-(2-phenylethoxy)hexan-2-one 在 溴 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 5-[4-(2-phenylethoxy)butyl]-6H-1,3,4-thiadiazin-2-amine
  参考文献：
  名称：

  [EN] 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS
  [FR] AGENTS ANTIFONGIQUES À BASE DE 2-AMINO-1,3,4-THIADIAZINE ET DE 2-AMINO-1,3,4-OXADIAZINE

  摘要：

  该发明提供了一种化合物，其为式(I)的二氮杂环化合物或其互变异构体，或其药学上可接受的盐，用作抗真菌剂：(I)其中X、N'、C'、A和E如本文所定义。该发明还提供了一种如本文所定义的式(I)的化合物。

  公开号：

  WO2017009651A1
• 作为产物：
  描述：

  6-氯-2-己酮 在 sodium hydride 、 sodium iodide 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 、 mineral oil 为溶剂， 反应 3.5h， 生成 6-(2-phenylethoxy)hexan-2-one
  参考文献：
  名称：

  [EN] 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS
  [FR] AGENTS ANTIFONGIQUES À BASE DE 2-AMINO-1,3,4-THIADIAZINE ET DE 2-AMINO-1,3,4-OXADIAZINE

  摘要：

  该发明提供了一种化合物，其为式(I)的二氮杂环化合物或其互变异构体，或其药学上可接受的盐，用作抗真菌剂：(I)其中X、N'、C'、A和E如本文所定义。该发明还提供了一种如本文所定义的式(I)的化合物。

  公开号：

  WO2017009651A1

文献信息

• Dichloroaniline derivatives
  申请人：Glaxo Group Limited

  公开号：US04943591A1

  公开（公告）日：1990-07-24

  The invention provides compounds of the general formula (I) ##STR1## wherein X represents a C.sub.1-6 alkylene, C.sub.2-6 alkenylene or C.sub.2-6 alkynylene chain and Y represents a bond, or a C.sub.1-4 alkylene, C.sub.2-4 alkenylene or C.sub.2-4 alkynylene chain with the proviso that the sum total of carbon atoms in X and Y is not more than 8; Ar represents a phenyl group optionally substituted by one or more substituents selected from halogen atoms or the groups C.sub.1-3 alkyl, nitro, --(CH.sub.2).sub.q R [where R is hydroxy, C.sub.1-3 alkoxy, --NR.sup.3 R.sup.4 (where R.sup.3 and R.sup.4 each represent a hydrogen atom, or a C.sub.1-4 alkyl group, or --NR.sup.3 R.sup.4 forms a saturated heterocyclic amino group which has 5-7 ring members and optionally contains in the ring one or more atoms selected from --O-- or --S-- or a group --NH-- or --N(CH.sub.3)--), --NR.sup.5 COR.sup.6 (where R.sup.5 represents a hydrogen atom or a C.sub.1-4 alkyl group, and R.sup.6 represents a hydrogen atom or a C.sub.1-4 alkyl, C.sub.1-4 alkoxy or --NR.sup.3 R.sup.4 group), and q represents an integer from 0 to 3], --NR.sup.5 COR.sup.19 (where R.sup.5 is as defined above and R.sup.19 represents a phenyl group), --(CH.sub.2).sub.r R.sup.7 [where R.sup.7 represents --NR.sup.5 SO.sub.2 R.sup.8 (where R.sup.8 represents a C.sub.1-4 alkyl, phenyl or --NR.sup.3 R.sup.4 group), --NR.sup.5 COCH.sub.2 N(R.sup.5).sub.2 (where each of the groups R.sup.5 represents a hydrogen atom or a C.sub.1-4 alkyl group), --COR.sup.9 (where R.sup.9 represents hydroxy, C.sub.1-4 alkoxy or NR.sup.3 R.sup.4), --SR.sup.10 (where R.sup.10 is a hydrogen atom, or a C.sub.1-4 alkyl group optionally substituted by hydroxy, C.sub.1-4 alkoxy or NR.sup.3 R.sup.4), --SOR.sup.10, --SO.sub.2 R.sup.10, --CN, or --NR.sup.11 R.sup.12 (where R.sup.11 and R.sup.12 represent a hydrogen atom or a C.sub.1-4 alkyl group, at least one of which is C.sub.2-4 alkyl substituted by a hydroxy, C.sub.1-4 alkoxy or NR.sup.3 R.sup.4), and r represents an integer from 0 to 3], --O(CH.sub.2).sub.q COR.sup.9 (where q and R.sup.9 are as defined above), or --O(CH.sub.2).sub.t R.sup.13 [where R.sup.13 represents hydroxy, NR.sup.3 R.sup.4, NR.sup.11 R.sup.12 or a C.sub.1-4 alkoxy group optionally substituted by hydroxy, C.sub.1-4 alkoxy or NR.sup.3 R.sup.4, and t is an integer 2 or 3], or Ar is a phenyl group substituted by an alkylenedioxy group --O(CH.sub.2).sub.p O-- where p is 1 or 2; R.sup.1 and R.sup.2 each represents a hydrogen atom or a C.sub.1-3 alkyl group, with the proviso that the sum total of carbon atoms in R.sup.1 and R.sup.2 is not more than 4; and physiologically acceptable salts and solvates (e.g. hydrates) thereof. The compounds of formula (I) have a stimulant action at .beta..sub.2 -adrenoreceptors and are useful, in particular, in the treatment of diseases associated with reversible airways obstruction such as asthma and chronic bronchitis.

  本发明提供了一般式(I)的化合物：##STR1## 其中，X代表C.sub.1-6烷基，C.sub.2-6烯基或C.sub.2-6炔基链，Y代表键或C.sub.1-4烷基，C.sub.2-4烯基或C.sub.2-4炔基链，但X和Y中碳原子的总和不超过8；Ar代表苯基，可选地由一个或多个取代基选自卤素原子或C.sub.1-3烷基，硝基，--(CH.sub.2).sub.qR [其中R为羟基，C.sub.1-3烷氧基，--NR.sup.3R.sup.4（其中R.sup.3和R.sup.4各代表氢原子或C.sub.1-4烷基，或--NR.sup.3R.sup.4形成有5-7个环成员的饱和杂环氨基，其中环中可选地包含一个或多个原子选自--O--或--S--或--NH--或--N(CH.sub.3)--），--NR.sup.5COR.sup.6（其中R.sup.5代表氢原子或C.sub.1-4烷基，R.sup.6代表氢原子或C.sub.1-4烷基，C.sub.1-4烷氧基或--NR.sup.3R.sup.4基），q代表0至3的整数]，--NR.sup.5COR.sup.19（其中R.sup.5如上定义，R.sup.19代表苯基），--(CH.sub.2).sub.rR.sup.7 [其中R.sup.7代表--NR.sup.5SO.sub.2R.sup.8（其中R.sup.8代表C.sub.1-4烷基，苯基或--NR.sup.3R.sup.4基），--NR.sup.5COCH.sub.2N(R.sup.5).sub.2（其中每个R.sup.5代表氢原子或C.sub.1-4烷基），--COR.sup.9（其中R.sup.9代表羟基，C.sub.1-4烷氧基或NR.sup.3R.sup.4），--SR.sup.10（其中R.sup.10为氢原子或可选地由羟基，C.sub.1-4烷氧基或NR.sup.3R.sup.4取代的C.sub.1-4烷基），--SOR.sup.10，--SO.sub.2R.sup.10，--CN或--NR.sup.11R.sup.12（其中R.sup.11和R.sup.12代表氢原子或C.sub.1-4烷基，至少有一个是由羟基，C.sub.1-4烷氧基或NR.sup.3R.sup.4取代的C.sub.2-4烷基），r代表0至3的整数]，--O(CH.sub.2).sub.qCOR.sup.9（其中q和R.sup.9如上定义），或--O(CH.sub.2).sub.tR.sup.13 [其中R.sup.13代表羟基，NR.sup.3R.sup.4，NR.sup.11R.sup.12或可选地由羟基，C.sub.1-4烷氧基或NR.sup.3R.sup.4取代的C.sub.1-4烷氧基，t为2或3]，或Ar是由烷二氧基基团--O(CH.sub.2).sub.pO-取代的苯基，其中p为1或2；R.sup.1和R.sup.2各代表氢原子或C.sub.1-3烷基，但R.sup.1和R.sup.2中碳原子的总和不超过4；以及其生理上可接受的盐和溶剂（例如水合物）。式(I)的化合物在.beta..sub.2-肾上腺素受体上具有兴奋作用，并且特别适用于治疗与可逆性气道阻塞有关的疾病，如哮喘和慢性支气管炎。
• Dichloroaniline derivatives for the therapy or prophylaxysis of a
  申请人：Glaxo Group Limited

  公开号：US05006556A1

  公开（公告）日：1991-04-09

  The invention provides compounds of the general formula (I) ##STR1## wherein X represents a C.sub.1-6 alkylene, C.sub.2-6 alkenylene or C.sub.2-6 alkynylene chain and Y represents a bond, or a C.sub.1-4 alkylene, C.sub.2-4 alkenylene or C.sub.2-4 alkynylene chain with the proviso that the sum total of carbon atoms in X and Y is not more than 8; Ar represents a phenyl group optionally substituted by one or more substituents selected from halogen atoms or the groups C.sub.1-3 alkyl, nitro, --(CH.sub.2)qR [where R is hydroxy, C.sub.1-3 alkoxy, --NR.sup.3 R.sup.4 (where R.sup.3 and R.sup.4 each represent a hydrogen atom, or a C.sub.1-4 alkyl group, or --NR.sup.3 R.sup.4 forms a saturated heterocyclic amino group which has 5-7 ring members and optionally contains in the ring one or more atoms selected from --O-- or --S-- or a group --NH-- or --N(CH.sub.3)--), --NR.sup.5 COR.sup.6 (where R.sup.5 represents a hydrogen atom or a C.sub.1-4 alkyl group, and R.sup.6 represents a hydrogen atom or a C.sub.1-4 alkyl, C.sub.1-4 alkoxy or --NR.sup.3 R.sup.4 group), and q represents an integer from 0 to 3], --NR.sup.5 COR.sup.19 (where R.sup.5 is as defined above and R.sup.19 represents a phenyl group), --(CH.sub.2).sub.r R.sup.7 [where R.sup.7 represents --NR.sup.5 SO.sub.2 R.sup.8 (where R.sup.8 represents a C.sub.1-4 alkyl, phenyl or --NR.sup.3 R.sup.4 group), --NR.sup.5 COCH.sub.2 N(R.sup.5).sub.2 (where each of the groups R.sup.5 represents a hydrogen atom or a C.sub.1-4 alkyl group), --COR.sup.9 (where R.sup.9 represents hydroxy, C.sub.1-4 alkoxy or NR.sup.3 R.sup.4), --SR.sup.10 (where R.sup.10 is a hydrogen atom, or a C.sub.1-4 alkyl group optionally substituted by hydroxy, C.sub.1-4 alkoxy or NR.sup.3 R.sup.4), --SOR.sup.10, --SO.sub.2 R.sup.10, --CN, or --NR.sup.11 R.sup.12 (where R.sup.11 and R.sup.12 represent a hydrogen atom or a C.sub.1-4 alkyl group, at least one of which is C.sub.2-4 alkyl substituted by a hydroxy, C.sub.1-4 alkoxy or NR.sup.3 R.sup.4 group), and r represents an integer from 0 to 3], --O(CH.sub.2).sub.q COR.sup.9 (where q and R.sup.9 are as defined above), or --O(CH.sub.2).sub.t R.sup.13 [where R.sup.13 represents hydroxy, NR.sup.3 R.sup.4, NR.sup.11 R.sup.12 or a C.sub.1-4 alkoxy group optionally substituted by hydroxy, C.sub.1-4 alkoxy or NR.sup.3 R.sup.4, and t is an integer 2 or 3], or Ar is a phenyl group substituted by an alkylenedioxy group --O(CH.sub.2).sub.p O-- where p is 1 or 2; R.sup.1 and R.sup.2 each represents a hydrogen atom or a C.sub.1-3 alkyl group, with the proviso that the sum total of carbon atoms in R.sup.1 and R.sup.2 is not more than 4; and physiologically acceptable salts and solvates (e.g. hydrates) thereof. The compounds of formula (I) have a stimulant action at .beta..sub.2 -adrenoreceptors and are useful, in particular, in the treatment of diseases associated with reversible airways obstruction such as asthma and chronic bronchitis.

  本发明提供了一般式（I）的化合物：##STR1## 其中X代表C.sub.1-6烷基，C.sub.2-6烯基或C.sub.2-6炔基链，Y代表键或C.sub.1-4烷基，C.sub.2-4烯基或C.sub.2-4炔基链，但X和Y中碳原子的总和不超过8；Ar代表苯基，可选地取代一个或多个取代基，所述取代基选择自卤原子或C.sub.1-3烷基、硝基、--(CH.sub.2)qR [其中R为羟基、C.sub.1-3烷氧基、--NR.sup.3R.sup.4（其中R.sup.3和R.sup.4分别代表氢原子，或C.sub.1-4烷基，或--NR.sup.3R.sup.4形成有5-7个环成员的饱和杂环氨基，可选地在环中包含一个或多个选择自--O--或--S--或--NH--或--N(CH.sub.3)--的原子或基），--NR.sup.5COR.sup.6（其中R.sup.5代表氢原子或C.sub.1-4烷基，R.sup.6代表氢原子或C.sub.1-4烷基、C.sub.1-4烷氧基或--NR.sup.3R.sup.4基），q代表0至3的整数]、--NR.sup.5COR.sup.19（其中R.sup.5如上定义，R.sup.19代表苯基），--(CH.sub.2).sub.rR.sup.7 [其中R.sup.7代表--NR.sup.5SO.sub.2R.sup.8（其中R.sup.8代表C.sub.1-4烷基、苯基或--NR.sup.3R.sup.4基）、--NR.sup.5COCH.sub.2N(R.sup.5).sub.2（其中R.sup.5的每个基代表氢原子或C.sub.1-4烷基）、--COR.sup.9（其中R.sup.9代表羟基、C.sub.1-4烷氧基或NR.sup.3R.sup.4）、--SR.sup.10（其中R.sup.10为氢原子或C.sub.1-4烷基，可选地被羟基、C.sub.1-4烷氧基或NR.sup.3R.sup.4取代）、--SOR.sup.10、--SO.sub.2R.sup.10、--CN或--NR.sup.11R.sup.12（其中R.sup.11和R.sup.12代表氢原子或C.sub.1-4烷基，至少一个基被羟基、C.sub.1-4烷氧基或NR.sup.3R.sup.4取代，且其中至少一个基为C.sub.2-4烷基），r代表0至3的整数]、--O(CH.sub.2).sub.qCOR.sup.9（其中q和R.sup.9如上定义），或--O(CH.sub.2).sub.tR.sup.13 [其中R.sup.13代表羟基、NR.sup.3R.sup.4、NR.sup.11R.sup.12或C.sub.1-4烷氧基，可选地被羟基、C.sub.1-4烷氧基或NR.sup.3R.sup.4取代，t为2或3]，或Ar为取代有烷二氧基基团--O(CH.sub.2).sub.pO-的苯基，其中p为1或2；R.sup.1和R.sup.2各代表氢原子或C.sub.1-3烷基，但R.sup.1和R.sup.2中碳原子的总和不超过4；以及其生理上可接受的盐和溶剂（例如水合物）。式（I）化合物在β.sub.2-肾上腺素受体上具有兴奋作用，特别适用于治疗与可逆气道阻塞相关的疾病，例如哮喘和慢性支气管炎。
• [EN] 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS<br/>[FR] AGENTS ANTIFONGIQUES À BASE DE 2-AMINO-1,3,4-THIADIAZINE ET DE 2-AMINO-1,3,4-OXADIAZINE
  申请人：F2G LTD

  公开号：WO2017009651A1

  公开（公告）日：2017-01-19

  The invention provides a compound which is a diazine of formula (I) or a tautomer thereof, or a pharmaceutically acceptable salt thereof, for use as an antifungal agent: (I) wherein X, N', C', A and E are as defined herein. The invention also provides a compound of Formula (I) as defined herein.

  该发明提供了一种化合物，其为式(I)的二氮杂环化合物或其互变异构体，或其药学上可接受的盐，用作抗真菌剂：(I)其中X、N'、C'、A和E如本文所定义。该发明还提供了一种如本文所定义的式(I)的化合物。