1-(tert-butyl)-3,5-dibutyl-1H-1,2,4-triazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(tert-butyl)-3,5-dibutyl-1H-1,2,4-triazole
• 英文别名: 3,5-Dibutyl-1-tert-butyl-1,2,4-triazole
• 化学式: C₁₄H₂₇N₃
• 分子量: 237.388
• InChiKey: CTVNOUPBXVNHHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  戊腈 、 叔丁基肼 在 potassium tert-butylate 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.17h， 以94%的产率得到1-(tert-butyl)-3,5-dibutyl-1H-1,2,4-triazole
  参考文献：
  名称：

  一步制备1,3,5-三取代-1,2,4-三氮唑衍生物的方法

  摘要：

  本发明公开了一种一步制备1,3,5‑三取代‑1,2,4‑三氮唑衍生物的方法，属于有机化学合成技术领域。该方法以简单腈类化合物和肼类化合物为起始原料，通过碱促进的环化反应，得到1,3,5‑三取代1,2,4‑三氮唑衍生物。该反应原料和促进剂廉价易得，合成工艺简单，大大降低了合成成本；反应条件温和，产率高，易于工业化；反应原料和促进剂清洁无毒，对环境污染小。该类化合物及其衍生物作为重要的精细化学品，在医药、农药、香料和光电等行业获得广泛应用。

  公开号：

  CN111471026A

文献信息

• A practical base mediated synthesis of 1,2,4-triazoles enabled by a deamination annulation strategy
  作者：Chunyan Zhang、Zuyu Liang、Xiaofei Jia、Maorong Wang、Guoying Zhang、Mao-Lin Hu

  DOI：10.1039/d0cc05828a

  日期：——

  A rapid and efficient base mediated synthesis of 1,3,5-trisubstituted 1,2,4-triazoles has been developed from annulation of nitriles with hydrazines, which can be scaled up to a wide range of triazoles in good to excellent yields. Ammonia gas is liberated during the reaction, and halo, hetero functional groups as well as free hydroxyl, amino are tolerated in this transformation. A variety of alkyl

  通过腈与肼的环合反应，已经开发出一种快速，有效的碱介导的1,3,5-三取代的1,2,4-三唑合成方法，该方法可按比例放大至各种三唑，且收率良好至优异。在反应过程中释放出氨气，并且在这种转化过程中，卤素，杂官能团以及游离羟基，氨基都可以被吸收。可以使用此程序将各种烷基，芳基取代的腈用芳香族和脂肪族肼官能化。这一发现为合成各种15N标记的1,2,4-三唑衍生物提供了一种实用且有用的策略，两种类型的mGlu5受体药物可以很容易地以一锅方式组装。
• Nitrosated And Nitrosylated Cardiovascular Compounds, Compositions And Methods Of Use
  申请人：Garvey S. David

  公开号：US20070238740A1

  公开（公告）日：2007-10-11

  The invention describes novel nitrosated and/or nitrosylated cardiovascular compounds or pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated and/or nitrosylated cardiovascular compound, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides novel compositions and kits comprising at least one cardiovascular compound of the invention, that is optionally nitrosated and/or nitrosylated, and, optionally, at least one nitric oxide donor compound and/or at least one therapeutic agent. The invention also provides methods for (a) treating cardiovascular diseases; (b) treating renovascular diseases; (c) treating diabetes; (d) treating diseases resulting from oxidative stress; (e) treating endothelial dysfunctions; (f) treating diseases caused by endothelial dysfunctions; (g) treating cirrhosis; (h) treating pre-eclampsia; (j) treating osteoporosis; and (k) treating nephropathy. The nitrosated and/or nitrosylated cardiovascular compounds are preferably nitrosated and/or nitrosylated aldosterone antagonists, nitrosated and/or nitrosylated angiotensin II antagonists, nitrosated and/or nitrosylated calcium channel blockers, nitrosated and/or nitrosylated endothelin antagonists, nitrosated and/or nitrosylated hydralazine compounds, nitrosated and/or nitrosylated neutral endopeptidase inhibitors and nitrosated and/or nitrosylated renin inhibitors.
• Cardiovascular Compounds Comprising Nitric Oxide Enhancing Groups, Compositions and Methods of Use
  申请人：Garvey David S.

  公开号：US20090012057A1

  公开（公告）日：2009-01-08

  The invention describes compositions and kits comprising at least one cardiovascular compound comprising at least one nitric oxide enhancing group, 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 cardiovascular diseases; (b) treating renovascular diseases; (c) treating diabetes; (d) treating diseases resulting from oxidative stress; (e) treating endothelial dysfunctions; (f) treating diseases caused by endothelial dysfunctions; (g) treating cirrhosis; (h) treating pre-eclampsia; Q) treating osteoporosis; (k) treating nephropathy; (l) treating peripheral vascular diseases; (m) treating portal hypertension; (n) treating ophthalmic disorders; (o) treating metabolic syndrome; and (p) treating hyperlipidemia. The cardiovascular compounds are angiotensin II antagonists, aldosterone antagonists, endothelin antagonists, hydralazine compounds, neutral endopeptidase inhibitors and renin inhibitors. The nitric oxide enhancing groups are nitroxides and/or heterocyclic nitric oxide donors.
• ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE
  申请人：Garvey David S.

  公开号：US20090215838A1

  公开（公告）日：2009-08-27

  The invention describes compositions and kits comprising at least one organic nitric oxide enhancing salt of an angiotensin π antagonist, and, optionally, at least one nitric oxide enhancing compound and/or at least one therapeutic agent. The invention also provides methods for (a) treating cardiovascular diseases; (b) treating renovascular diseases; (c) treating diabetes; (d) treating diseases resulting from oxidative stress; (e) treating endothelial dysfunctions; (f) treating diseases caused by endothelial dysfunctions; (g) treating cirrhosis; (h) treating pre-eclampsia; (j) treating osteoporosis; (k) treating nephropathy; (l) treating peripheral vascular diseases; (m) treating portal hypertension; (n) treating ophthalmic disorders; (o) treating metabolic syndrome; and (p) treating hyperlipidemia. The organic nitric oxide enhancing compounds that form salts with the angiotensin II antagonists are organic nitrates, organic nitrites, nitrosothiols, thionitrites, thionitrates, NONOates, heterocyclic nitric oxide donors and/or nitroxides. The heterocyclic nitric oxide donors are furoxans, sydnonimines, oxatriazole-5-ones and/or oxatriazole-5-imines.