4-丙基-1,3-环己烷二酮 | 18456-81-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-丙基-1,3-环己烷二酮
• 英文名称: 4-n-propyl-1,3-cyclohexanedione
• 英文别名: 4-propylcyclohexane-1,3-dione；4-propyl-1,3-cyclohexandione；4-propyl-cyclohexane-1,3-dione；4-Propyl-cyclohexan-1,3-dion；4-Propyl-1,3-cyclohexanedione；4-n-Propyl-cyclohexan-1,3-dion
• CAS: 18456-81-0
• 化学式: C₉H₁₄O₂
• 分子量: 154.209
• InChiKey: WWLVJBISOZBFCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2914299000

反应信息

• 作为反应物：
  描述：

  4-丙基-1,3-环己烷二酮 在 ammonium acetate 作用下， 生成 3-amino-6-propylcyclohex-2-en-1-one
  参考文献：
  名称：

  WO2007/23245

  摘要：

  公开号：
• 作为产物：
  描述：

  3-异丁氧基-2-环己烯酮 在 盐酸 、 Wilkinson's catalyst 、 氢气 、 lithium diisopropyl amide 作用下， 以 丙酮 、 苯 为溶剂， 反应 29.0h， 生成 4-丙基-1,3-环己烷二酮
  参考文献：
  名称：

  Synthesis of β-chloro, β-bromo, and β-iodo α,β-unsaturated ketones

  摘要：

  描述了一种制备β-氯、β-溴和β-碘α，β-不饱和酮的新的高效方法。该方法涉及β-二酮或α-羟甲基环戊酮与三苯基膦二卤化物在三乙胺存在下的反应。对于二氯化物和二溴化物试剂，反应通常在苯中室温下进行，而对于三苯基膦二碘化物，最好在回流的乙腈（β-二酮）或乙腈-六甲基磷酰胺（α-羟甲基环戊酮）中进行。三苯基膦二碘化物-三乙胺与一系列4-烷基-1,3-环己二酮的反应主要或仅产生（取决于烷基的大小）6-烷基-3-碘-2-环己烯-1-酮，而该试剂与2-羟甲基环己酮和2-羟甲基环戊酮的反应分别选择性地产生（E）-2-碘甲基环己酮和（E）-2-碘甲基环戊酮。

  DOI：

  10.1139/v82-033

文献信息

• Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors
  申请人：Jirgensons Aigars

  公开号：US20050197361A1

  公开（公告）日：2005-09-08

  The invention relates to tetrahydroquinolinone derivatives as well as their pharmaceutially acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are group I mGluR antagonists and are therefore useful for the control and prevention of acute and/or chronic neurological disorders.

  该发明涉及四氢喹诺酮衍生物及其药用可接受的盐。该发明还涉及一种制备这种化合物的方法。该发明的化合物是I组mGluR拮抗剂，因此对于控制和预防急性和/或慢性神经系统疾病非常有用。
• Profiling the reactivity of cyclic C-nucleophiles towards electrophilic sulfur in cysteine sulfenic acid
  作者：Vinayak Gupta、Kate S. Carroll

  DOI：10.1039/c5sc02569a

  日期：——

  Oxidation of a protein cysteine thiol to sulfenic acid, termedS-sulfenylation, is a reversible post-translational modification that plays a crucial role in regulating protein function and is correlated with disease states.

  蛋白质半胱氨酸硫醇氧化为硫酸基，称为S-硫酰基化，是一种可逆的翻译后修饰，对调节蛋白质功能起着至关重要的作用，并与疾病状态相关。
• 4-alkyl- and 4-aralkyl-dihydro-resorcinols and process for the manufacture of same
  申请人：HOFFMANN LA ROCHE

  公开号：US02018213A1

  公开（公告）日：1935-10-22

  Dihydroresorcinol is obtained by subjecting solutions of resorcinol to catalytic hydrogenation in presence of at least one gram-equivalent weight of a strongly-basic compound per gram-molecular weight of resorcinol. Inorganic or organic bases or salts of strongly alkaline reaction may be used, but it is not necessary to use resorcinol also as a salt. The reaction may be carried out in aqueous or organic solvents at normal or higher pressure. According to examples, resorcinol is hydrogenated in with a nickel catalyst in presence of aqueous sodium hydroxide, methyl alcoholic sodium hydroxide, aqueous calcium oxide, alcoholic diethylamine, and with a palladium chloride catalyst in presence of aqueous sodium hydroxide followed by acidifying and extracting with ether. German Specification 77317 is referred to.ALSO:Dihydroresorcinol is obtained by subjecting solutions of resorcinol to catalytic hydrogenation in presence of at least one gram-equivalent weight of a strongly basic compound per grammolecular weight of resorcinol. Inorganic or organic bases or salts of strongly alkaline reaction may be used, but it is not necessary to use resorcinol likewise as a salt. The reaction may be carried out in aqueous or organic solvents, at normal or higher pressure. According to examples, resorcinol is hydrogenated with a nickel catalyst in presence of aqueous sodium hydroxide, methyl alcoholic sodium hydroxide, aqueous calcium oxide, alcoholic diethylamine, and with palladium chloride catalyst in presence of aqueous sodium hydroxide, followed by acidifying and extracting with ether. German Specification 77317 is referred to.

  二氢间苯二酚是通过将间苯二酚溶液在存在至少一个强碱性化合物的情况下进行催化氢化而获得，每克分子量的间苯二酚需要至少一个克当量的强碱性化合物。可以使用无机或有机碱或具有强碱性反应的盐，但不必将间苯二酚也作为盐使用。反应可以在水性或有机溶剂中在常压或更高压下进行。根据示例，间苯二酚在镍催化剂存在下与水性氢氧化钠、甲醇氢氧化钠、水性氧化钙、乙醇二乙胺以及钯氯化物催化剂存在下与水性氢氧化钠一起进行氢化，然后酸化并用醚提取。参考德国规范77317。
• Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors
  申请人：Jirgensons Aigars

  公开号：US20050288284A1

  公开（公告）日：2005-12-29

  The invention relates to ethynyl-substituted tetrahydroquinolinone derivatives as well as their pharmaceutically acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are group I mGluR modulators and are therefore useful for the control and prevention of acute and/or chronic neurological disorders.

  该发明涉及乙炔基取代的四氢喹啉酮衍生物及其药学上可接受的盐。该发明进一步涉及一种制备这种化合物的方法。该发明的化合物是I组mGluR调节剂，因此对于控制和预防急性和/或慢性神经系统疾病有用。
• Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors
  申请人：Kauss Valerjans

  公开号：US20090227582A1

  公开（公告）日：2009-09-10

  The invention relates to ethynyl-substituted tetrahydroquinolinone derivatives as well as their pharmaceutically acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are group I mGluR modulators and are therefore useful for the control and prevention of acute and/or chronic neurological disorders.

  本发明涉及乙炔基取代的四氢喹啉酮衍生物以及其药学上可接受的盐。本发明还涉及一种制备这种化合物的方法。本发明的化合物是I组mGluR调节剂，因此对于控制和预防急性和/或慢性神经系统疾病是有用的。