6-n-butoxypyridine-2-carboxaldehyde | 217657-79-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-n-butoxypyridine-2-carboxaldehyde
• 英文别名: 6-butoxypyridine-2-carbaldehyde
• CAS: 217657-79-9
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: BBIDAKRVWHXUSR-UHFFFAOYSA-N

物化性质

• 沸点：
  265.4±20.0 °C(Predicted)
• 密度：
  1.067±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-n-butoxypyridine-2-carboxaldehyde 在 甲酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  用于镍催化乙烯聚合的带有聚乙二醇单元的亚氨基吡啶配体

  摘要：

  聚乙二醇单元对镍催化乙烯聚合的影响越来越引起人们的兴趣。聚乙二醇基团上的路易斯碱性氧原子可与路易斯酸性金属添加剂形成相互作用。在这个贡献中，一系列带有聚乙二醇单元的亚氨基吡啶配体（L - O1、L - O2和L - O3）和相应的镍配合物（Ni - O1、Ni - O2和Ni - O3) 被设计、合成和表征。通过烷基铝助催化剂的活化，分别研究了镍配合物及其相应的MgCl 2负载镍预催化剂（Ni - O1-Mg、Ni - O2-Mg和Ni - O3-Mg）在催化均相和多相乙烯聚合中的作用。产物的分子量随着聚乙二醇单元上氧原子数的增加而增加。MgCl 2的介绍与均相聚合中产生的产物相比，载体导致聚乙烯的分子量高得多，支化密度低得多。多相聚合产生的聚合物具有优异的聚合物粉末形态，可防止反应器结垢，促进潜在的工业应用。

  DOI：

  10.1016/j.polymer.2021.124023
• 作为产物：
  描述：

  6-n-butoxy-2-(1,3-dioxolan-2-yl)pyridine 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 生成 6-n-butoxypyridine-2-carboxaldehyde
  参考文献：
  名称：

  用于镍催化乙烯聚合的带有聚乙二醇单元的亚氨基吡啶配体

  摘要：

  聚乙二醇单元对镍催化乙烯聚合的影响越来越引起人们的兴趣。聚乙二醇基团上的路易斯碱性氧原子可与路易斯酸性金属添加剂形成相互作用。在这个贡献中，一系列带有聚乙二醇单元的亚氨基吡啶配体（L - O1、L - O2和L - O3）和相应的镍配合物（Ni - O1、Ni - O2和Ni - O3) 被设计、合成和表征。通过烷基铝助催化剂的活化，分别研究了镍配合物及其相应的MgCl 2负载镍预催化剂（Ni - O1-Mg、Ni - O2-Mg和Ni - O3-Mg）在催化均相和多相乙烯聚合中的作用。产物的分子量随着聚乙二醇单元上氧原子数的增加而增加。MgCl 2的介绍与均相聚合中产生的产物相比，载体导致聚乙烯的分子量高得多，支化密度低得多。多相聚合产生的聚合物具有优异的聚合物粉末形态，可防止反应器结垢，促进潜在的工业应用。

  DOI：

  10.1016/j.polymer.2021.124023

文献信息

• Thioxanthine derivatives and their use as inhibitors of MPO
  申请人：AstraZeneca AB

  公开号：US08026244B2

  公开（公告）日：2011-09-27

  There are disclosed novel compounds of Formula (I) wherein L, R1, X and Y are as defined in the specification, and pharmaceutically acceptable salts thereof; together with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors of the enzyme MPO and are thereby particularly useful in the treatment or prophylaxis of neuroinflammatory disorders, cardio- and cerebrovascular atherosclerotic disorders and peripheral artery disease and respiratory disorders.

  本发明涉及一种新型化合物的公开，其化学式为(I)，其中L、R1、X和Y如规范中所定义，并且其药学上可接受的盐；以及它们的制备方法、含有它们的组合物和它们在治疗中的应用。这些化合物是MPO酶的抑制剂，因此特别适用于治疗或预防神经炎症性疾病、心脏和脑血管动脉粥样硬化性疾病、周围动脉疾病和呼吸系统疾病。
• Thioxanthine Derivatives and Their Use as Inhibitors of MPO
  申请人：Tiden Anna-Karin

  公开号：US20090149475A1

  公开（公告）日：2009-06-11

  There are disclosed novel compounds of Formula (I) wherein L, R 1 , X and Y are as defined in the specification, and pharmaceutically acceptable salts thereof; together with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors of the enzyme MPO and are thereby particularly useful in the treatment or prophylaxis of neuroinflammatory disorders, cardio- and cerebrovascular atherosclerotic disorders and peripheral artery disease and respiratory disorders.

  本发明公开了新的化合物式（I），其中L、R1、X和Y如规范中所定义，并且其药学上可接受的盐；以及其制备方法、含有它们的组合物和它们在治疗中的应用。这些化合物是MPO酶的抑制剂，因此在神经炎症性疾病、心血管和脑血管动脉粥样硬化性疾病、周围动脉疾病和呼吸系统疾病的治疗或预防中特别有用。
• WO2007/120098
  申请人：——

  公开号：——

  公开（公告）日：——
• Design and Synthesis of a Series of 6-Substituted-2-pyridinylmethylamine Derivatives as Novel, High-Affinity, Selective Agonists at 5-HT_1A Receptors
  作者：Bernard Vacher、Bernard Bonnaud、Philippe Funes、Nathalie Jubault、Wouter Koek、Marie-Bernadette Assié、Cristina Cosi

  DOI：10.1021/jm9804329

  日期：1998.12.1

  A search for novel, selective agonists with high intrinsic activity at the 5-HT1A subtype of serotonin (5-HT) receptors was undertaken. Mechanistic and thermodynamic considerations led to the design of 6-substituted-2-pyridinylmethylamine as a potential 5-HT1A pharmacophore. Various adducts derived from the 6-substituted-2-pyridinylmethylamine moiety were tested for their affinity at 5-HT1A, alpha(1)-adrenergic, and D-2-dopaminergic receptors. Compounds with high affinity for 5-HT1A receptors (pK(i) greater than or equal to 8) were examined for agonist properties by measuring their ability to inhibit forskolin-stimulated cAMP production in HA7 cells (i.e., HeLa cells permanently transfected with the h5-HT1A receptor gene and expressing the h5-HT1A receptor protein). Several compounds of the type aryl4-[(6-substituted-pyridin-2-ylmethylamino)methyl]piperidin-1-yl}methanone had nanomolar affinity for 5-HT1A binding sites and were more than 500-fold selective with respect to alpha(1) and D-2 sites. Importantly, their 5-HT1A agonist properties were demonstrated in HA7 cells where they behaved as potent inhibitors of cAMP accumulation. In particular, (3,4-dichlorophenyl)4-[(6-oxazol-5-ylpyridin-2-ylmethylamino)methyl]piperidin-1-yl}methanone (70) and (3,4-dichlorophenyl)4-[(6-azetidinopyridin-2-ylmethylamino)methyl]piperidin-1-yl}methanone (36) appeared to be more potent than, and at least as efficacious as, the prototypical 5-HT1A agonist (+/-)-8-OH-DPAT. SAR studies revealed that the pyridine nitrogen atom and the nature and the position of the substituents on the pyridine ring were critically involved in the ability of the compounds to recognize and activate 5-HT1A receptors. Structural modifications of the nonpharmacophoric part of the molecule showed, however, that the entire structure was required for affinity at 5-HT1A binding sites.
• DERIVATIVES OF ARYL-QUINAZOLINE/ARYL-2AMINO-PHENYL METHANONE WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE
  申请人：Novartis AG

  公开号：EP1585521B1

  公开（公告）日：2008-06-18