2-(4-溴丁基)-5,5-二甲基-1,3-二恶烷 | 57101-35-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 中文名称: 2-(4-溴丁基)-5,5-二甲基-1,3-二恶烷
• 英文名称: 2-(4-Bromobutyl)-5,5-dimethyl-1,3-dioxane
• 英文别名: 1,3-Dioxane, 2-(4-bromobutyl)-5,5-dimethyl-
• CAS: 57101-35-6
• 化学式: C₁₀H₁₉BrO₂
• 分子量: 251.164
• InChiKey: JPKIMMYMTNVPGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-溴丁基)-5,5-二甲基-1,3-二恶烷 生成 5-(5,5-Dimethyl-1,3-dioxan-2-yl)pentanenitrile
  参考文献：
  名称：

  SKUBALLA, W.;DAHL, H.;RADUECHEL, B.;VORBRUEGGEN, H.;LOGE, O.

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2-二甲基-1,3-丙二醇 在 对甲苯磺酸 作用下， 以 phosphorus tribromide 、 1,3-dichloroethane 为溶剂， 以62%的产率得到2-(4-溴丁基)-5,5-二甲基-1,3-二恶烷
  参考文献：
  名称：

  Process for preparing 2-(3-bromopropyl)-5,5-dimethyl-1,3-dioxane and

  摘要：

  本发明涉及一种制备式为##STR1##4-溴丁醛和5-溴戊醛的缩醛的方法，包括在溶剂中分别用新戊二醇和2,3-二氢呋喃以及3,4-二氢-2H-吡喃为催化剂反应，然后溴化所得产物。本发明还涉及所述的5-溴丁醛缩醛本身。

  公开号：

  US04847391A1

文献信息

• 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。
• Synthesis and in vitro cytotoxicity of cross-conjugated prostaglandin A and J series and their hydroxy derivatives
  作者：Remigiusz Żurawiński、Marian Mikołajczyk、Marcin Cieślak、Karolina Królewska、Julia Kaźmierczak-Barańska

  DOI：10.1039/c5ob00550g

  日期：——

  An efficient synthetic protocol for the synthesis of enantiomerically pure cyclopentenone prostaglandin derivatives is described and the anticancer activity of these derivatives was determined.

  描述了一种高效的合成环戊烯酮前列腺素衍生物的方法，并确定了这些衍生物的抗癌活性。
• 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。
• 2-(3-Brompropyl)-5,5-dimethyl-1,3-dioxan, sowie Verfahren zur Herstellung desselben und des 2-(4-Brombutyl)-5,5-dimethyl-1,3-dioxans
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0220592A1

  公开（公告）日：1987-05-06

  Die Erfindung betrifft ein Verfahren zur Herstellung der Ketale des 4-Brombutanals und des 5-Brompentanals der Formel Dabei setzt man 2,3-Dihydrofuran bzw. 3,4-Dihydro-2H-pyran in einem Lösungsmittel in Gegenwart eines Katalysators mit Neopentylglykol um und bromiert dann das entstehende Produkt. Außerdem betrifft die Erfindung das genannte Ketal des 5-Brombutanals als solches.

  本发明涉及一种制备式 4-溴丁醛和 5-溴戊醛酮体的工艺。 在该工艺中，2,3-二氢呋喃或 3,4-二氢-2H-吡喃在催化剂存在下与新戊二醇在溶剂中反应，然后将生成物溴化。本发明还涉及 5-溴丁醛的上述缩酮。
• An Efficient Fischer Indole Synthesis of Avitriptan, a Potent 5-HT_1D Receptor Agonist
  作者：Paul R. Brodfuehrer、Bang-Chi Chen、Thomas R. Sattelberg、Patrick R. Smith、Jayachandra P. Reddy、Derron R. Stark、Sandra L. Quinlan、J. Gregory Reid、John K. Thottathil、Shaopeng Wang

  DOI：10.1021/jo971368q

  日期：1997.12.1

  An efficient synthesis of the antimigraine drug candidate avitriptan (1, BMS 180048) is reported. The key step is a two-phase Fischer indolization reaction between hydrazine 6 and 5-chlorovaleraldehyde, 20, to give the chloropropylindole 35, which is susceptible to acid-catalyzed degradation under the reaction conditions required for its formation. Sequential coupling of 35 with piperazine, 26, and 4-chloro-5-methoxypyrimidine, 24, gives the title compound in 40-45% overall yield. Significant improvements in the syntheses of the known starting materials, hydrazine 6, 5-chlorovaleraldehyde, 20, and 4-chloro-5-methoxypyrimidine, 24, were also achieved.