2,5-二甲基-4-(吗啉甲基)苯酚盐酸盐一水化物 | 33625-43-3

• 物质功能分类: 有机原料 - 醇、酚、酚醇类化合物及衍生物 - 酚及其卤化、磺化、硝化或亚硝化衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,5-二甲基-4-(吗啉甲基)苯酚盐酸盐一水化物
• 中文别名: 2,5-二甲基-4(吗啉基甲基)苯酚盐酸盐
• 英文名称: 2,5-dimethyl-4-(morpholinomethyl)phenol
• 英文别名: 4-Morpholinomethyl-2,5-xylenol-hydrochlorid；2,5-dimethyl-4-(morpholinomethyl)phenol hydrochloride；2,5-Dimethyl-4-(morpholin-4-ylmethyl)phenol;hydron;chloride；2,5-dimethyl-4-(morpholin-4-ylmethyl)phenol;hydron;chloride
• CAS: 33625-43-3
• 化学式: C₁₃H₁₉NO₂*ClH
• 分子量: 257.76
• InChiKey: RLGUYDSHQWRANT-UHFFFAOYSA-N

物化性质

• 熔点：
  188-192 °C(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  2.26
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  32.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090
• 安全说明：
  S24/25

制备方法与用途

用途："Ozalid"染料的前体。

反应信息

• 作为反应物：
  描述：

  2,5-二甲基-4-(吗啉甲基)苯酚盐酸盐一水化物 在 sodium hydride 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 乙腈 、 mineral oil 为溶剂， 反应 6.25h， 生成 2,5-dimethyl-4-(morpholinomethyl)phenyl phenyl sulfate
  参考文献：
  名称：

  Sulfur(VI) fluoride compounds and methods for the preparation thereof

  摘要：

  该应用描述了由式(I)表示的化合物：(I)其中：Y是一个生物活性有机核心基团，包括芳基、杂芳基、非芳香烃基和非芳香杂环基中的一个或多个，其中Z与之以共价键结合；n为1、2、3、4或5；m为1或2；Z为O、NR或N；X1为共价键或—CH2CH2—，X2为O或NR；R包括H或从芳基、杂芳基、非芳香烃基和非芳香杂环基中选择的取代或未取代基团。还描述了制备这些化合物的方法、使用这些化合物的方法以及包含这些化合物的药物组合物。

  公开号：

  US10117840B2

文献信息

• Photo-physicochemical properties and in vitro photodynamic therapy activity of morpholine-substituted Zinc(II)-Phthalocyanines π-π stacked on biotinylated graphene quantum dots
  作者：Lindokuhle C. Nene、Muthumuni Managa、Tebello Nyokong

  DOI：10.1016/j.dyepig.2019.03.002

  日期：2019.6

  Two morpholine-substituted Zn(II) phthalocyanines, complex 4 and the cationic 5, were synthesized and conjugated to graphene quantum dots (GQDs) and biotinylated GQDs (GQDs-biotin) by non-covalent at-at interactions. The GQDs-biotin are prepared as potential nanoparticle-based Pc delivery vector combined with a receptor -mediated transport system using biotin. The photo-physicochemical properties of the Pc complexes and their corresponding conjugates were studied. Upon conjugation, the fluorescence quantum yields decrease for 4 and 5, however, the triplet quantum yields were increased for the conjugates. All samples demonstrated singlet oxygen generation. For conjugated complexes, the singlet quantum yields decreased due to the screening effect in some cases. An increase in the photodynamic therapy activities upon quatemization was observed for the conjugates, with the cell viability decreasing from 66.2% to 51.2% after treatment for 4-GQDs and 5-GQDs, respectively. A relatively better performance was also observed for the cationic complex in combination with the biotin functionalized GQDs, 5-GQDs-biotin, where the cell viability was 34.9% after treatment. Moreover, the cellular uptake of 5-GQDs-biotin over 24 h was relatively higher compared to Pc complex alone and other Pcs-GQDs conjugates.
• Sulfur(VI) fluoride compounds and methods for the preparation thereof
  申请人：The Scripps Research Institute

  公开号：US10117840B2

  公开（公告）日：2018-11-06

  This application describes a compound represented by Formula (I): (I) wherein: Y is a biologically active organic core group comprising one or more of an aryl group, a heteroaryl aryl group, a nonaromatic hydrocarbyl group, and a nonaromatic heterocyclic group, to which Z is covalently bonded; n is 1, 2, 3, 4 or 5; m is 1 or 2; Z is O, NR, or N; X1 is a covalent bond or —CH2CH2—, X2 is O or NR; and R comprises H or a substituted or unsubstituted group selected from an aryl group, a heteroaryl aryl group, a nonaromatic hydrocarbyl group, and a nonaromatic heterocyclic group. Methods of preparing the compounds, methods of using the compounds, and pharmaceutical compositions comprising the compounds are described as well.

  该应用描述了由式(I)表示的化合物：(I)其中：Y是一个生物活性有机核心基团，包括芳基、杂芳基、非芳香烃基和非芳香杂环基中的一个或多个，其中Z与之以共价键结合；n为1、2、3、4或5；m为1或2；Z为O、NR或N；X1为共价键或—CH2CH2—，X2为O或NR；R包括H或从芳基、杂芳基、非芳香烃基和非芳香杂环基中选择的取代或未取代基团。还描述了制备这些化合物的方法、使用这些化合物的方法以及包含这些化合物的药物组合物。