5-丁氧基甲酸吡啶 | 62724-83-8

• 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
• 中文名称: 5-丁氧基甲酸吡啶
• 英文名称: 5-n-butyloxy-picolinic acid
• 英文别名: 5-n-Butoxypyridin-2-carbonsaeure；5-butoxypicolinic acid；5-Butoxypicolinsaeure；5-butoxy-pyridine-2-carboxylic acid；5-Butoxypyridine-2-carboxylic Acid
• CAS: 62724-83-8
• 化学式: C₁₀H₁₃NO₃
• 分子量: 195.218
• InChiKey: XXOUHKWIQVEQIH-UHFFFAOYSA-N

物化性质

• 熔点：
  95-95.5 °C(Solv: ethyl acetate (141-78-6))
• 沸点：
  343.4±22.0 °C(Predicted)
• 密度：
  1.157±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 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：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  zinc(II) acetate dihydrate 、 5-丁氧基甲酸吡啶 以 水 为溶剂， 以54%的产率得到zinc 5-butoxypicolinate
  参考文献：
  名称：

  Antipruritic composition

  摘要：

  一种用于口服药物、注射和外用药物的抗瘙痒组合物，包括有效量的螯合锌（例如锌吡啶酸盐）作为抗瘙痒剂。

  公开号：

  US05219847A1
• 作为产物：
  描述：

  3-羟基-6-甲基吡啶 在 氢氧化钾 、 potassium permanganate 作用下， 以 乙醇 为溶剂， 生成 5-丁氧基甲酸吡啶
  参考文献：
  名称：

  Barbera, J.; Marcos, M.; Serrano, J. L., Molecular Crystals and Liquid Crystals (1969-1991), 1989, vol. 166, p. 61 - 74

  摘要：

  DOI：

文献信息

• Substituted N-aryl heterocycles, process for their preparation and their use as medicaments
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US20040220191A1

  公开（公告）日：2004-11-04

  The invention relates to substituted N-aryl heterocycles and to the physiologically tolerated salts and physiologically functional derivatives thereof. Compounds of the formula I 1 in which the radicals have the stated meanings, the N-oxides and the physiologically tolerated salts thereof and process for the preparation thereof are described. The compounds are suitable for example as anorectic agents.

  这项发明涉及取代N-芳基杂环化合物及其生理耐受盐和生理功能衍生物。式I的化合物 1 其中基团具有所述含义，其N-氧化物及其生理耐受盐以及其制备方法被描述。这些化合物例如适用作为厌食剂。
• 5-Alkoxy-picolinic esters and anti-hypertensive composition containing
  申请人：Meiji Seika Kaisha, Ltd.

  公开号：US04198416A1

  公开（公告）日：1980-04-15

  5-Alkoxy-picolinic esters represented by the formula (I): ##STR1## wherein R represents an alkyl group having 1 to 6 carbon atoms and R.sub.1 represents an unsubstituted phenyl group; a phenyl group substituted with one or more of an alkyl group having 1 to 4 carbon atoms or an acetyl group; a phthalidyl group; an alkoxyalkyl group wherein the alkyl moiety and the alkoxy moiety each has 1 to 4 carbon atoms; an alkoxyalkoxyalkyl group wherein the alkyl moiety and the alkoxy moiety each has 1 to 4 carbon atoms; an indanyl group; or an acyloxyalkyl group having the formula ##STR2## wherein R.sub.2 represents a hydrogen atom or a methyl group and R.sub.3 represents an alkyl group having 1 to 5 carbon atoms (such as a methyl, n-propyl, isobutyl, t-butyl, etc., group), an alkoxy group having 1 to 4 carbon atoms, a phenyl group, a phenyl group substituted with one or more of an alkyl group having 1 to 4 carbon atoms, an alkoxy group having 1 to 4 carbon atoms or a halogen atom (such as chlorine, bromine, iodine, etc., atom) or an aralkyl group wherein the alkyl moiety has 1 to 3 carbon atoms, which are useful as anti-hypertensive agents, a process for preparing 5-alkoxy-picolinic esters, and anti-hypertensive compositions containing the 5-alkoxy-picolinic esters.

  5-烷氧基吡啶酸酯的化学式为(I)：其中R代表具有1至6个碳原子的烷基基团，R.sub.1代表未取代的苯基团；一苯基团，该苯基团取代有一个或多个具有1至4个碳原子的烷基基团或乙酰基；一邻苯二甲酰基团；一烷氧基烷基团，其中烷基部分和烷氧基部分各自具有1至4个碳原子；一烷氧基烷氧基烷基团，其中烷基部分和烷氧基部分各自具有1至4个碳原子；一茚基团；或者一酰氧基烷基团，其化学式为：其中R.sub.2代表氢原子或甲基基团，R.sub.3代表具有1至5个碳原子的烷基基团（例如，甲基、正丙基、异丁基、叔丁基等基团），具有1至4个碳原子的烷氧基团，苯基团，一苯基团，该苯基团取代有一个或多个具有1至4个碳原子的烷基基团，具有1至4个碳原子的烷氧基团或卤原子（例如氯、溴、碘等原子）或一芳基烷基团，其中烷基部分具有1至3个碳原子，这些化合物可用作降压药物，一种制备5-烷氧基吡啶酸酯的方法，以及含有5-烷氧基吡啶酸酯的降压组合物。
• ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT
  申请人：SCHWINK Lothar

  公开号：US20070197584A1

  公开（公告）日：2007-08-23

  The invention relates to aryl-substituted polycyclic amines of the formula I, especially bicyclic amines, and to the physiologically tolerated salts and physiologically functional derivatives thereof; where the symbols and radicals are explained in the description as well as to pharmaceutical compositions and medical treatments employing these compounds.

  该发明涉及公式I的芳基取代的多环胺，特别是双环胺，以及其生理耐受的盐和生理功能衍生物；其中符号和基团在描述中有解释，还涉及使用这些化合物的药物组合物和医疗治疗。
• Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension
  申请人：G.D. Searle & Co.

  公开号：US20030220521A1

  公开（公告）日：2003-11-27

  Renal-selective prodrugs are described which are preferentially converted in the kidney to compounds capable of inhibiting synthesis of catecholamine-type neurotransmitters involved in renal sympathetic nerve activity. The prodrugs described herein are derived from inhibitor compounds capable of inhibiting one or more of the enzymes involved in catecholamine synthesis, such compounds being classifiable as tyrosine hydroxylase inhibitors, or as dopa-decarboxylase inhibitors, or as dopamine-&bgr;-hydroxylase inhibitors. These inhibitor compounds are linked to a chemical moiety, such as a glutamic acid derivative, by a cleavable bond which is recognized selectively by enzymes located predominantly in the kidney. The liberated inhibitor compound is then available in the kidney to inhibit one or more of the enzymes involved in catecholamine synthesis. Inhibition of renal catecholamine synthesis can suppress heightened renal nerve activity associated with sodium-retention related disorders such as hypertension. Conjugates of particular interest are glutamyl derivatives of dopamine-&bgr;-hydroxylase inhibitors, of which N-acetyl-&ggr;-glutamyl fusaric acid hydrazide (shown below) is preferred. 1

  本文描述了一种肾选择性的前药，其在肾脏中优先转化为能够抑制参与肾交感神经活动的儿茶酚型神经递质合成的化合物。本文所描述的前药来源于能够抑制儿茶酚合成中的一个或多个酶的抑制剂化合物，这些化合物可分类为酪氨酸羟化酶抑制剂，多巴脱羧酶抑制剂或多巴胺-&bgr;-羟化酶抑制剂。这些抑制剂化合物通过可被肾脏中大量存在的酶选择性识别的可裂解键与化学基团（如谷氨酸衍生物）连接。释放的抑制剂化合物然后可在肾脏中用于抑制儿茶酚合成中的一个或多个酶。抑制肾脏儿茶酚合成可抑制与钠潴留相关的疾病（如高血压）相关的增强肾脏神经活动。特别感兴趣的共轭物是多巴胺-&bgr;-羟化酶抑制剂的谷氨酰衍生物，其中N-乙酰-&ggr;-谷氨酰富萨酸肼（如下图所示）是首选。1
• Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension
  申请人：G.D. Searle & Co.

  公开号：US20040101523A1

  公开（公告）日：2004-05-27

  Renal-selective prodrugs are described which are preferentially converted in the kidney to compounds capable of inhibiting synthesis of catecholamine-type neurotransmitters involved in renal sympathetic nerve activity. The prodrugs described herein are derived from inhibitor compounds capable of inhibiting one or more of the enzymes involved in catecholamine synthesis, such compounds being classifiable as tyrosine hydroxylase inhibitors, or as dopa-decarboxylase inhibitors, or as dopamine-&bgr;-hydroxylase inhibitors. These inhibitor compounds are linked to a chemical moiety, such as a glutamic acid derivative, by a cleavable bond which is recognized selectively by enzymes located predominantly in the kidney. The liberated inhibitor compound is then available in the kidney to inhibit one or more of the enzymes involved in catecholamine synthesis. Inhibition of renal catecholamine synthesis can suppress heightened renal nerve activity associated with sodium-retention related disorders such as hypertension. Conjugates of particular interest are glutamyl derivatives of dopamine-&bgr;-hydroxylase inhibitors, of which N-acetyl-&ggr;-glutamyl fusaric acid hydrazide (shown below) is preferred. 1

  本文描述了肾脏选择性前药，这些前药被优先转化为能够抑制与肾脏交感神经活动相关的儿茶酚类神经递质合成的化合物。所述前药源自能够抑制儿茶酚类合成中涉及的一个或多个酶的抑制剂化合物，这些化合物可分类为酪氨酸羟化酶抑制剂，或多巴脱羧酶抑制剂，或是多巴胺-β-羟化酶抑制剂。这些抑制剂化合物与化学基团（例如谷氨酸衍生物）通过可被肾脏内的酶特异性识别的可切断键连接。被释放的抑制剂化合物随后可在肾脏中抑制一个或多个涉及儿茶酚类合成的酶。抑制肾脏儿茶酚类合成可以抑制与钠潴留相关的疾病（如高血压）所伴随的过度肾脏神经活动。特别感兴趣的结合物是多巴胺-β-羟化酶抑制剂的谷氨酰衍生物，其中N-乙酰-γ-谷氨酰菌核酸酸肼（如下图所示）是首选。1