1,4-butanediol acetate nitrate | 907624-85-5

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: 1,4-butanediol acetate nitrate
• 英文别名: acetic acid 4-nitryloxybutyl ester；4-nitrooxybutyl acetate
• CAS: 907624-85-5
• 化学式: C₆H₁₁NO₅
• 分子量: 177.157
• InChiKey: QGBMKPCHIDBDJI-UHFFFAOYSA-N

物化性质

• 沸点：
  240.1±23.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,4-butanediol acetate nitrate 在 氮气 、 二氯甲烷 、 sodium hydroxide 、 Sodium sulfate-III 作用下， 以 二氯甲烷 为溶剂， 28.0 ℃ 、266.64 kPa 条件下， 反应 1.67h， 以affording the product 4-nitryloxybutan-1-ol (1,4-butanediol mononitrate, BDMN) as a colorless solution in CH2Cl2 (196.7 g)的产率得到硝酸4-羟基丁酯
  参考文献：
  名称：

  METHOD FOR THE PREPARATION OF ORGANIC NITRATES

  摘要：

  本发明涉及一种制备具有至少一个硝氧基和至少一个羟基的有机硝酸酯的方法，其中至少一个羟基可以以酯化羟基残基的形式存在，后者被酸（而非硝酸）酯化。

  公开号：

  US20100312003A1
• 作为产物：
  描述：

  4-acetoxy-1-butanol 在 硝酸 作用下， 反应 2.5h， 生成 1,4-butanediol acetate nitrate
  参考文献：
  名称：

  ANHYDRIDE DERIVATIVES OF 2-(S)-(6-METHOXY-2-NAPHTYL)-PROPANOIC ACID, PREPARATION METHOD AND USE THEREOF

  摘要：

  本发明提供了一种新颖的2-(S)-(6-甲氧基-2-萘基)-丙酸的酐衍生物，用于制备高纯度的2-(S)-(6-甲氧基-2-萘基)-丙酸的硝氧烷基酯，以满足行业需求。

  公开号：

  US20120226068A1

文献信息

• Method for the preparation of organic nitrates
  申请人：Lonza AG

  公开号：EP2048129A1

  公开（公告）日：2009-04-15

  The present invention relates to a process for the preparation of organic nitrates having at least one nitryloxy and at least one hydroxy group, wherein the at least one hydroxy group may be present in form of an esterified hydroxy residue, the latter being esterified with an acid other than nitric acid.

  本发明涉及一种制备具有至少一个硝基氧基和至少一个羟基的有机硝酸酯的方法，其中至少一个羟基可以以酯化羟基残基的形式存在，后者与除硝酸以外的酸酯化。
• Nitric oxide enhancing diuretic compounds, compositions and methods of use
  申请人：Garvey S. David

  公开号：US20060189603A1

  公开（公告）日：2006-08-24

  The invention describes novel compositions and kits comprising at least one nitric oxide enhancing diuretic compound, or pharmaceutically acceptable salts thereof, and, optionally, at least one nitric oxide enhancing compound and/or at least one therapeutic agent. The invention also provides methods for (a) treating conditions resulting from excessive water and/or electrolyte retention; (b) treating cardiovascular diseases; (c) treating renovascular diseases; (d) treating diabetes; (e) treating diseases resulting from oxidative stress; (f) treating endothelial dysfunctions; (g) treating diseases caused by endothelial dysfunctions; (h) treating cirrhosis; (j) treating pre-eclampsia; (k) treating osteoporosis; (l) treating nephropathy; (m) treating peripheral vascular diseases; (n) treating portal hypertension; (o) treating central nervous system disorders; (p) treating metabolic syndrome; (q) treating sexual dysfunctions; and (r) hyperlipidemia. The nitric oxide enhancing diuretic compounds comprise at least one nitric oxide enhancing group linked to the diuretic compound through one or more sites such as carbon, oxygen and/or nitrogen via a bond or moiety that cannot be hydrolyzed.

  该发明描述了包含至少一种增强一氧化氮利尿化合物或其药用盐的新型组合物和试剂盒，以及可选地，至少一种增强一氧化氮化合物和/或至少一种治疗剂的试剂盒。该发明还提供了以下方法：(a)治疗由过多水分和/或电解贮留引起的症状；(b)治疗心血管疾病；(c)治疗肾血管疾病；(d)治疗糖尿病；(e)治疗由氧化应激引起的疾病；(f)治疗内皮功能障碍；(g)治疗由内皮功能障碍引起的疾病；(h)治疗肝硬化；(j)治疗子痫前期；(k)治疗骨质疏松症；(l)治疗肾病；(m)治疗外周血管疾病；(n)治疗门静脉高压；(o)治疗中枢神经系统疾病；(p)治疗代谢综合征；(q)治疗性功能障碍；以及(r)高脂血症。增强一氧化氮利尿化合物包括至少一种增强一氧化氮基团，通过碳、氧和/或氮等一个或多个位点与利尿化合物连接，连接通过不能水解的键或基团。
• [EN] PROCESS FOR THE PRODUCTION OF ESTERS OF NITRIC ACID<br/>[FR] PROCÉDÉ POUR LA PRODUCTION D'ESTERS DE L'ACIDE NITRIQUE
  申请人：LONZA AG

  公开号：WO2011120695A1

  公开（公告）日：2011-10-06

  Organic nitrates are prepared from mono-, di- or polyhydric alcohols by (i) simultaneously feeding a first continuous-flow microreactor unit with (a) concentrated nitric acid, (b) acetic anhydride, (c) optionally, a catalytic amount of a strong inorganic acid other than nitric acid, and (d) optionally, a solvent, to obtain a solution of acetyl nitrate, and (ii) simultaneously feeding a second continuous-flow microreactor with the solution of acetyl nitrate obtained in step (i) and said mono-, di- or polyhydric alcohol in liquid form or dissolved in a solvent to obtain a solution of said organic nitrate, and (iii) optionally, isolating said organic nitrate from the solution obtained in step (ii). The process of the invention is particularly suited for mono-nitration of dihydric alcohols such as 1,4-butanediol.

  有机硝酸酯是通过以下步骤从单元、二元或多元醇制备的：(i)同时将浓硝酸、乙酸酐、可选地，除硝酸以外的一种强无机酸的催化量，以及可选地，溶剂，连续进料到第一连续流微反应器单元中，以获得乙酰硝酸的溶液；(ii)同时将步骤(i)中获得的乙酰硝酸溶液和所述单元、二元或多元醇以液态形式或溶解在溶剂中的形式连续进料到第二连续流微反应器中，以获得所述有机硝酸的溶液；(iii)可选地，从步骤(ii)中获得的溶液中分离所述有机硝酸。该发明的工艺特别适用于对1,4-丁二醇等二元醇进行单硝化。
• NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：GARVEY David S.

  公开号：US20080255101A1

  公开（公告）日：2008-10-16

  The invention describes novel compositions and kits comprising at least one nitric oxide enhancing diuretic compound, or pharmaceutically acceptable salts thereof, and, optionally, at least one nitric oxide enhancing compound and/or at least one therapeutic agent. The invention also provides methods for (a) treating conditions resulting from excessive water and/or electrolyte retention; (b) treating cardiovascular diseases; (c) treating renovascular diseases; (d) treating diabetes; (e) treating diseases resulting from oxidative stress; (f) treating endothelial dysfunctions; (g) treating diseases caused by endothelial dysfunctions; (h) treating cirrhosis; (j) treating pre-eclampsia; (k) treating osteoporosis; (l) treating nephropathy; (m) treating peripheral vascular diseases; (n) treating portal hypertension; (o) treating central nervous system disorders; (p) treating metabolic syndrome; (q) treating sexual dysfunctions; and (r) hyperlipidemia. The nitric oxide enhancing diuretic compounds comprise at least one nitric oxide enhancing group linked to the diuretic compound through one or more sites such as carbon, oxygen and/or nitrogen via a bond or moiety that cannot be hydrolyzed.

  这项发明描述了新颖的组合物和试剂盒，包括至少一种增强一氧化氮利尿化合物或其药学上可接受的盐，并且可选地，还包括至少一种增强一氧化氮化合物和/或至少一种治疗剂。该发明还提供了以下方法：(a)治疗由过度水和/或电解质潴留引起的疾病；(b)治疗心血管疾病；(c)治疗肾血管疾病；(d)治疗糖尿病；(e)治疗由氧化应激引起的疾病；(f)治疗内皮功能障碍；(g)治疗由内皮功能障碍引起的疾病；(h)治疗肝硬化；(j)治疗先兆子痫；(k)治疗骨质疏松症；(l)治疗肾病；(m)治疗外周血管疾病；(n)治疗门静脉高压；(o)治疗中枢神经系统疾病；(p)治疗代谢综合征；(q)治疗性功能障碍；以及(r)治疗高脂血症。增强一氧化氮利尿化合物包括至少一个增强一氧化氮基团，通过碳、氧和/或氮等一个或多个位点连接到利尿化合物上，通过无法水解的键或基团连接。
• METHOD FOR THE PREPARATION OF ORGANIC NITRATES
  申请人：Brieden Walter

  公开号：US20100312003A1

  公开（公告）日：2010-12-09

  The present invention relates to a process for the preparation of organic nitrates having at least one nitryloxy and at least one hydroxy group, wherein the at least one hydroxy group may be present in form of an esterified hydroxy residue, the latter being esterified with an acid other than nitric acid.

  本发明涉及一种制备具有至少一个硝氧基和至少一个羟基的有机硝酸酯的方法，其中至少一个羟基可以以酯化羟基残基的形式存在，后者被酸（而非硝酸）酯化。