3-Aethyl-3-methyl-hexansaeure | 50902-82-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-Aethyl-3-methyl-hexansaeure
• 英文别名: 3-ethyl-3-methyl-hexanoic acid；3-Ethyl-3-methylhexanoic acid
• CAS: 50902-82-4
• 化学式: C₉H₁₈O₂
• 分子量: 158.241
• InChiKey: APIWHOUUMCIHFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-ethyl-3-methyl-hexanenitrile 在 氢氧化钾 、 乙二醇 作用下， 生成 3-Aethyl-3-methyl-hexansaeure
  参考文献：
  名称：

  Unsymmetrical Quaternary Carbon Compounds. I. The Alkylation of Ethyl 2-Cyano-3-methyl-2-pentenoate with Aliphatic Grignard Reagents

  摘要：

  DOI：

  10.1021/ja01143a025

文献信息

• 3-Carbamoyl-2-Pyridone Derivative
  申请人：Ishizuka Natsuki

  公开号：US20080103139A1

  公开（公告）日：2008-05-01

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R 1 is optionally substituted C1-C8 alkyl and the like; R 2 is C1-C6 alkyl; R 3 is C1-C6 alkyl and the like; or R 2 and R 3 taken together with may form an optionally substituted 5 to 10 membered non-aromatic carbon ring; R 4 is hydrogen and the like; G is a group selected from the groups shown by the formula an the like: wherein R 5 is hydrogen and the like; X 1 is a single bond and the like; X 2 is optionally substituted C1-C8 alkylene that may be replaced by one or two groups of —O—, or —N(R 6 )—, wherein R 6 is hydrogen and the like, and the like; X 3 is a single bond and the like; a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有激动大麻素受体的作用的化合物，其由式（I）表示：其中，R1是可选取的取代的C1-C8烷基等；R2是C1-C6烷基；R3是C1-C6烷基等；或R2和R3共同形成可选取代的5至10个成员的非芳香碳环；R4是氢等；G是由式等所示的基团中选取的基团：其中，R5是氢等；X1是单键等；X2是可选取代的C1-C8烷基，可以被一或两个-O-或-N（R6）-的基团替代，其中R6是氢等；X3是单键等；其药学上可接受的盐或其溶剂，以及制药组合物、治疗特应性皮炎的制剂和抗瘙痒剂，特别是口服和外用的抗瘙痒剂，每种制剂均以所述化合物为活性成分。
• 3-CARBAMOYL-2-PYRIDONE DERIVATIVES
  申请人：ISHIZUKA Natsuki

  公开号：US20120208813A1

  公开（公告）日：2012-08-16

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R 1 , R 2 , R 3 , R 4 , and G are defined as herein, a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了具有激动大麻素受体的活性的化合物，该受体由公式（I）表示：其中R1、R2、R3、R4和G如本文所定义，其药学上可接受的盐或溶剂，以及制备该化合物为活性成分的药物组合物、治疗特应性皮炎的药剂和抗瘙痒剂，尤其是用于口服和外用的抗瘙痒剂。
• 3-CARBAMOYL-2-PYRIDONE DERIVATIVE
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1806342A1

  公开（公告）日：2007-07-11

  The present invention provides compounds having an agonistic activity to the cannabinoid receptor, which is represented by the formula (I): wherein R1 is optionally substituted C1-C8 alkyl and the like; R2 is C1-C6 alkyl; R3 is C1-C6 alkyl and the like; or R2 and R3 taken together with may form an optionally substituted 5 to 10 membered non-aromatic carbon ring; R4 is hydrogen and the like; G is a group selected from the groups shown by the formula an the like: wherein R5 is hydrogen and the like; X1 is a single bond and the like; X2 is optionally substituted C1-C8 alkylene that may be replaced by one or two groups of -O-, or -N(R6)-, wherein R6 is hydrogen and the like, and the like; X3 is a single bond and the like; a pharmaceutically acceptable salt or a solvate thereof, and pharmaceutical compositions, atopic dermatitis treating agents, and anti-pruritus agents, especially anti-pruritus agents for oral used and for external application, which each contains the said compound as an active ingredient.

  本发明提供了对大麻素受体具有激动活性的化合物，该受体由式 (I) 表示： 其中 R1 是任选取代的 C1-C8 烷基及类似物；R2 是 C1-C6 烷基；R3 是 C1-C6 烷基及类似物；或 R2 和 R3 一起可形成任选取代的 5 至 10 个成员的非芳香族碳环；R4 是氢及类似物；G 是选自式所示基团及类似物的基团： 其中 R5 是氢和类似物；X1 是单键和类似物；X2 是可被一个或两个基团-O-或-N(R6)-取代的任选取代的 C1-C8 亚烷基，其中 R6 是氢和类似物；X3 是单键和类似物； 其药学上可接受的盐或溶液，以及药物组合物、特应性皮炎治疗剂和止痒剂，尤其是口服和外用的止痒剂，其中每一种都含有上述化合物作为活性成分。
• COMPOSITION FOR HEAT CYCLE SYSTEM, AND HEAT CYCLE SYSTEM
  申请人：Asahi Glass Company, Limited

  公开号：EP3109302A1

  公开（公告）日：2016-12-28

  To provide a composition for a heat cycle system having favorable lubricating properties and comprising a working fluid for heat cycle which has a low global warming potential and which can replace R410A, and a heat cycle system employing the composition. A composition for a heat cycle system, which comprises a working fluid for heat cycle containing an unsaturated fluorinated hydrocarbon compound having a specific structure, and a refrigerant oil having a breakdown voltage of at least 25 kV, a hydroxy value of at most 0.1 mgKOH/g, and an aniline point of at least -100°C and at most 0°C, and a heat cycle system employing the composition for a heat cycle system.

  提供一种用于热力循环系统的组合物，该组合物具有良好的润滑性能，包含一种热力循环用工作流体，该工作流体具有较低的全球升温潜能值，可替代 R410A，并提供一种采用该组合物的热力循环系统。 一种用于热力循环系统的组合物，它包括一种热力循环用工作流体，其中含有一种具有特定结构的不饱和含氟碳氢化合物，以及一种冷冻油，其击穿电压至少为 25 kV，羟值至多为 0.1 mgKOH/g，苯胺点至少为 -100°C 且至多为 0°C。
• COMPOSITION FOR HEAT CYCLE SYSTEM AND HEAT CYCLE SYSTEM
  申请人：Asahi Glass Company, Limited

  公开号：EP3153561A1

  公开（公告）日：2017-04-12

  To provide a composition for a heat cycle system, which comprises a working fluid for heat cycle which has a low global warming potential and high stability, and which can replace R410A, and a heat cycle system employing the composition. A composition for a heat cycle system, which comprises a working fluid for heat cycle containing 1,2-difluoroethylene, and a stabilizer for preventing deterioration of the working fluid for heat cycle, such as an oxidation resistance-improving agent, a heat resistance-improving agent or a metal deactivator, and a heat cycle system employing the composition for a heat cycle system.

  提供一种用于热力循环系统的组合物，该组合物包含一种全球升温潜能值低、稳定性高、可替代 R410A 的热力循环用工作流体，以及一种采用该组合物的热力循环系统。 一种用于热力循环系统的组合物，它包括含有 1,2-二氟乙烯的热力循环用工作流体和用于防止热力循环用工作流体变质的稳定剂（如抗氧化性改进剂、抗热性改进剂或金属失活剂），以及一种采用该组合物的热力循环系统。