2,2,5-三甲基恶唑烷 | 52837-54-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 2,2,5-三甲基恶唑烷
• 英文名称: 2,2,5-trimethyl-2,3,4,5-tetrahydroisoxazole
• 英文别名: 2,2,5-trimethyl oxazolidine；2,2,5-Trimethyloxazolidine；2,2,5-trimethyl-1,3-oxazolidine
• CAS: 52837-54-4
• 化学式: C₆H₁₃NO
• 分子量: 115.175
• InChiKey: XMPCGZCCOXWBKR-UHFFFAOYSA-N

物化性质

• 沸点：
  133.3±23.0 °C(Predicted)
• 密度：
  0.858±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2,2,5-三甲基恶唑烷 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 0.08h， 生成 1-(异丙基氨基)-2-丙醇
  参考文献：
  名称：

  Reductive alkylation of .beta.-alkanolamines with carbonyl compounds and sodium borohydride

  摘要：

  DOI：

  10.1021/jo00213a014
• 作为产物：
  描述：

  2-hydroxy-1-nitropropane 在 aluminum nickel 作用下， 以 丙酮 为溶剂， 生成 2,2,5-三甲基恶唑烷
  参考文献：
  名称：

  Preparation of 3-dihaloacetyl oxazolidines

  摘要：

  本公开涉及一种新的过程，用于通过将硝基醇与醛或酮进行催化加氢，然后与二卤乙酰卤酰基发生反应，制备3-二卤乙酰（不）取代噁唑啉化合物。

  公开号：

  US05428172A1

文献信息

• One-pot Synthesis, Crystal structure, and Bioactivity of<i>N</i>-Phenoxyacetyl-2,4,5-trisubstituted-1,3-oxazolidines
  作者：Ying Fu、Wen-Geng Chen、Yu-Wen Hou、Bin Wang、Li-Xia Zhao、Fei Ye

  DOI：10.1002/jhet.2706

  日期：2017.3

  N‐phenoxyacetyl‐1,3‐oxazolidine derivatives were synthesized by the cyclization and acylation with β‐amino alcohol, ketone, and phenoxyacetyl chloride as the starting materials. All compounds were characterized by IR, 1H NMR, 13C NMR, ESI‐MS, and elemental analysis. The configuration of 4a was determined by X‐ray crystallography. The preliminary biological tests showed that all products could protect

  N-苯氧基乙酰基-1,3-恶唑烷衍生物是通过以β-氨基醇，酮和苯氧基乙酰氯为原料的环化和酰化反应合成的。所有化合物均通过IR，1 H NMR，13 C NMR，ESI-MS和元素分析进行了表征。4a的构型由X射线晶体学确定。初步的生物学测试表明，所有产品都可以在一定程度上保护大豆免受2,4-D丁酸酯的伤害。
• Design, Synthesis and Evaluation of Novel Trichloromethyl Dichlorophenyl Triazole Derivatives as Potential Safener
  作者：Ke-Liang Guo、Li-Xia Zhao、Zi-Wei Wang、Shu-Zhe Rong、Xiao-Lin Zhou、Shuang Gao、Ying Fu、Fei Ye

  DOI：10.3390/biom9090438

  日期：——

  the crop toxicity problem and exploit the novel potential safener for fenoxaprop-P-ethyl herbicide, a series of trichloromethyl dichlorobenzene triazole derivatives were designed and synthesized by the principle of active subunit combination. A total of 21 novel substituted trichloromethyl dichlorobenzene triazole compounds were synthesized by substituted aminophenol and amino alcohol derivatives as

  安全剂的主导地位可以与除草剂结合，获得对作物的有效保护和农田杂草的合格控制。为解决作物毒性问题，开发新型潜在安全剂精恶唑禾草灵除草剂，根据活性亚基组合原理，设计合成了一系列三氯甲基二氯苯三唑衍生物。以取代氨基苯酚和氨基醇衍生物为起始原料，经环化和酰化反应，合成了21种新型取代三氯甲基二氯苯三唑类化合物。所有化合物均通过 IR、1H-NMR、13C-NMR 和 HRMS 明确表征。温室生物测定表明，大部分标题化合物均能不同程度地保护小麦免受精恶唑草灵引起的药害，其中化合物5o在10 μmol/L浓度下表现出优异的安全剂活性，优于商品化化合物芬氯唑。 。确定了新化合物的构效关系，表明含有苯并恶嗪基团的化合物比恶唑取代的化合物表现出更好的活性。在特定位置引入苯并恶嗪片段和给电子基团可以提高或维持小麦对抗除草剂精恶唑草灵攻击的安全活性。分子对接模型表明，5o 和精恶唑禾草灵之间的潜在机制与除草剂的解毒有关。目前的工作结果表明，化合物
• Haloacetamidines and the herbicidal use thereof
  申请人：Stauffer Chemical Co.

  公开号：US04670593A1

  公开（公告）日：1987-06-02

  Dichloroacetamidines having the formula ##STR1## in which A and B are independently selected from hydrogen, fluorine, chlorine, bromine and methyl, provided that at least one of A or B is other than hydrogen; M is hydrogen or methyl; X is selected from the group consisting of trifluoromethyl, lower alkyl, nitro, chloro, bromo, fluoro, cyano, lower alkoxy acetyl, lower alkylthio, trifluoromethylthio, and 3,3-diloweralkyl ureido; Y is selected from the group consisting of hydrogen, lower alkyl, chloro, fluoro, nitro, trifluoromethyl, and lower alkoxy; Z is selected from the group consisting of hydrogen and chloro; R.sub.1 is selected from the group consisting of hydrogen, alkyl and allyl; R.sub.2 is selected from the group consisting of alkyl, allyl, benzyl, hydroxyalkyl, alkynyl, N-alkyl amido, alkoxyalkyl, dialkoxyalkyl, alkoxy, cyano alkyl, substituted phenyl wherein the substituent is selected from the group trifluoromethyl, dichloro and 3,3-dimethylureido; and R.sub.1 and R.sub.2 taken together with the nitrogen is selected from the group consisting of alkyl substituted oxazolidyl, morpholinyl, piperidinyl and pyrrolidinyl; and salts thereof; useful as herbicides.

  二氯乙酰胺亚胺的化学式为##STR1##其中A和B分别选自氢、氟、氯、溴和甲基，但至少A或B之一不是氢；M为氢或甲基；X选自三氟甲基、低碳基、硝基、氯、溴、氟、氰基、低碳氧基乙酰基、低碳硫基、三氟甲基硫基和3,3-二低碳基脲基；Y选自氢、低碳基、氯、氟、硝基、三氟甲基和低碳氧基；Z选自氢和氯；R.sub.1选自氢、烷基和烯丙基；R.sub.2选自烷基、烯丙基、苄基、羟基烷基、炔基、N-烷基酰胺、烷氧基烷基、二烷氧基烷基、烷氧基、氰基烷基、取代苯基，其中取代基选自三氟甲基、二氯甲基和3,3-二甲基脲基；R.sub.1和R.sub.2连同氮原子选自烷基取代的噁唑基、吗啉基、哌啶基和吡咯啉基；以及其盐；可用作除草剂。
• Herbicidal antidote compositions with substituted oxazolidines and
  申请人：Stauffer Chemical Company

  公开号：US03989503A1

  公开（公告）日：1976-11-02

  Herbicidal compositions comprising an active herbicidal compound and antidote therefor and the methods of use; the antidote compound corresponds to substituted oxazolidines and thiazolidines having the formula ##SPC1## In which X is oxygen or sulfur; R is haloalkyl, alkyl or alkylthio; and R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5 and R.sub.6 are independently selected from the group consisting of hydrogen, lower alkyl, alkoxyalkyl and lower alkylol.

  除草剂组合物包括一种活性除草剂化合物和其解毒剂，以及使用方法；解毒剂化合物对应于具有以下式子的取代噁唑烷和噻唑烷：##SPC1## 其中X是氧或硫；R是卤代烷基，烷基或烷基硫代基；R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5和R.sub.6分别独立地选自氢、低烷基、烷氧基烷基和低烷基醇基的群。
• Certain 3-haloacyl-2,2,5-trimethyl-oxazolidines
  申请人：Stauffer Chemical Company

  公开号：US03959304A1

  公开（公告）日：1976-05-25

  Substituted oxazolidines and thiazolidines having the formula ##SPC1## In which X is oxygen or sulfur; R is haloalkyl, alkyl or alkylthio; and R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5 and R.sub.6 are independently selected from the group consisting of hydrogen, lower alkyl, alkoxyalkyl and lower alkylol; provided that when X is oxygen and R is alkyl, then at least one of R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5 and R.sub.6 is other than hydrogen. The compounds are active as an antidote against crop injury, when used with various herbicides.

  具有以下式子的代替氧杂环戊二烯和硫杂环戊二烯##SPC1## 其中X是氧或硫; R是卤代烷基，烷基或烷基硫; R.sub.1，R.sub.2，R.sub.3，R.sub.4，R.sub.5和R.sub.6是独立选择自氢，低烷基，烷氧基烷基和低烷基醇的群体; 前提是当X是氧且R是烷基时，至少有一个R.sub.1，R.sub.2，R.sub.3，R.sub.4，R.sub.5和R.sub.6不是氢。这些化合物与各种除草剂一起使用时作为防治作物损伤的解毒剂具有活性。