3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine | 24033-49-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
• CAS: 24033-49-6
• 化学式: C₁₀H₁₃NO
• 分子量: 163.219
• InChiKey: SEFPQGGFTLHJHO-UHFFFAOYSA-N

物化性质

• 沸点：
  269.0±40.0 °C(Predicted)
• 密度：
  1.022±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P305+P351+P338,P332+P313,P337+P313,P362
• 危险性描述：
  H315,H319
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  二氯乙酰氯 、 3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine 在 sodium carbonate 作用下， 以 苯 为溶剂， 反应 2.0h， 以56%的产率得到N-dichloroacetyl-3,4-dihydro-3,6-dimethyl-2H-1,4-benzoxazine
  参考文献：
  名称：

  Fu, Ying; Wang, Jiao; Zhao, Qing-Shan, Indian Journal of Heterocyclic Chemistry, 2014, vol. 24, # 1, p. 41 - 46

  摘要：

  DOI：
• 作为产物：
  描述：

  在 三乙基硅烷 、 aluminium(III) triflate 作用下， 以 乙腈 为溶剂， 反应 0.17h， 以94%的产率得到3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
  参考文献：
  名称：

  Synthesis of Dihydrobenzoheterocycles through Al(OTf)₃-Mediated Cascade Cyclization and Ionic Hydrogenation

  摘要：

  A facile and versatile synthesis of dihydrobenzoheterocycles via Al(OTf)(3)-mediated cascade cyclization and ionic hydrogenation has been developed. The reaction is applicable to a wide range of substrates with various functional groups to afford the corresponding products in good yields.

  DOI：

  10.1021/jo501824z

文献信息

• 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
• Colorant compositions
  申请人：Stephens B. Eric

  公开号：US20060105927A1

  公开（公告）日：2006-05-18

  Colorant compositions are useful for a wide variety of product applications. For example, colorants are used in tinting of polymers, providing colors to aqueous solution(s), and affording color to solid or semi-solid products such as detergents. Disclosed herein are colorant compositions having a triphenylmethane (“TPM”) structure having improved stability to alkaline conditions. Thus, the colorant compositions resist decolorization, even at relatively high pH levels.

  色料组合物对各种产品应用非常有用。例如，色料用于染色聚合物，为水溶液提供颜色，并为固体或半固体产品（如洗涤剂）提供颜色。本文披露了具有三苯甲烷（“TPM”）结构的色料组合物，具有改善的碱性条件稳定性。因此，这些色料组合物抵抗褪色，即使在相对较高的pH水平下也是如此。
• Azodyestuffs derived from 5-membered heterocyclic amines and aromatic couplers containing sulpho-groups, or salts thereof and their use in dyeing polyamide fibres
  申请人：EASTMAN KODAK COMPANY (a New Jersey corporation)

  公开号：EP0020161A2

  公开（公告）日：1980-12-10

  Mono azo dyes are derived from certain diazotized 5- membered heterocyclic amines and certain aniline, 1,2,3,4-tetrahydroquinoline and benzomorpholine couplers containing sulphoalkyl groups. The amine and coupler nuclei may be substituted. These dyes impart fast violet to blue shades to polyamide fibres.

  单偶氮染料是由某些重氮化的 5 位杂环胺和某些含有磺烷基的苯胺、1,2,3,4-四氢喹啉和苯并吗啉耦合剂衍生而来。胺和耦合剂的核可以被取代。这些染料可使聚酰胺纤维快速呈现紫色至蓝色。
• Colorants and intermediates therefor having branched poly(oxyalkylene)moieties, and their manufacture
  申请人：MILLIKEN RESEARCH CORPORATION

  公开号：EP0529162A1

  公开（公告）日：1993-03-03

  Colorants and compositions useful as a fugitive or permanent colorant for a variety of substrates, or as intermediates for their manufacture, and having one or more improved properties of enhanced aqueous washability, compatibility with and non-extractibility from thermoplastic resins, or reactivity with resins having reactive functionality, said composition having the formula C(Z)₁₋₈ wherein:    C is the residue of a reactant having from 1-8 nucleophilic site residues to which the Z moieties are attached; said Z moieties containing at least about 60 weight percent of poly(oxyalkylene) which is comprised of (a) at least one glycidol residue segment of 2-6 glycidol residues attached to a nucleophilic site of C, wherein said poly(oxyalkylene) contains a total of from 2-20 glycidol residues, (b) and wherein said poly(oxyalkylene) further contains the residues of one or more other epoxide reactants of ethylene oxide (EO), propylene oxide (PO), or butylene oxide (BO), or mixtures thereof, wherein said poly(oxyalkylene) contains a total of from about 10 to about 600 of said EO, PO or BO residues, or mixtures thereof, at least about 75 mole percent of which are EO residues, (c) and with the provisions that the ratio of the total of - O-PO- and -O-BO- linkages of all glycidol residues to the total of all functional oxy linkages of said glycidol residues is less than one, and the molar ratio of EO residues to glycidol residues is from 4 to 75.

  着色剂和组合物，可用作各种基材的褪色剂或永久性着色剂，或用作其制造的中间体，并具有一种或多种改进特性，即增强的水洗性、与热塑性树脂的相容性和不萃取性，或与具有反应官能团的树脂的反应性，所述组合物具有式 C(Z)₁₋₈ 其中，C 是反应物的残余物，反应物具有 1-8 个亲核部位残余物，Z 分子与反应物相连；所述 Z 分子含有至少约 60% 的聚(氧亚烷基)，该聚(氧亚烷基)是一种具有反应官能团的树脂： C 是反应物的残留物，该反应物具有 1-8 个亲核位点残留物，Z 分子附着在该残留物上；所述 Z 分子含有至少约 60 重量百分比的聚氧亚烷基，该聚氧亚烷基由以下物质组成 (a) 至少一个由 2-6 个缩水甘油残基组成的缩水甘油残基段，该段连接到 C 的亲核位点，其中所述聚（氧烷基）总共包含 2-20 个缩水甘油残基、 (b) 其中所述聚（氧烷基）进一步含有环氧乙烷（EO）、环氧丙烷（PO）或环氧丁 烷（BO）的一种或多种其它环氧化物反应物或其混合物的残基，其中所述聚（氧烷 基）总共含有约 10 至约 600 个所述环氧乙烷、环氧丙烷或环氧丁烷残基或其混 合物，其中至少约 75 摩尔％为环氧乙烷残基、 (c) 并规定所有缩水甘油残基的-O-PO-和-O-BO-链节总数与所述缩水甘油残基的所有官能氧链节总数之比小于1，且环氧乙烷残基与缩水甘油残基的摩尔比为4至75。
• Chemistry of ethenesulfonyl fluoride. Fluorosulfonylethylation of organic compounds
  作者：James J. Krutak、Robert D. Burpitt、William H. Moore、John A. Hyatt

  DOI：10.1021/jo01336a022

  日期：1979.10