2,2-dimethyl-1-(4-methylphenyl)propane-1,3-diol | 35615-32-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2-dimethyl-1-(4-methylphenyl)propane-1,3-diol
• CAS: 35615-32-8
• 化学式: C₁₂H₁₈O₂
• 分子量: 194.274
• InChiKey: YLUXWNFHKBOCCF-UHFFFAOYSA-N

物化性质

• 沸点：
  338.3±27.0 °C(Predicted)
• 密度：
  1.056±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-1-(4-methylphenyl)propane-1,3-diol 在 三乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 生成
  参考文献：
  名称：

  Synthesis and Fugicidal Activities of 2-Silatranyl Propylamino-4-substitued Phenyl(Hydrogen)-5,5-dimethyl-1,3,2-dioxaphosphinanes-2-oxides (Sulfides)

  摘要：

  Phosphoryl-aminopropyl-silatranes 4 were synthesized by nucleophilic reactions of 2-Cl-1,3,2- dioxaphosphinanes 2 with gamma-aminopropyl-silatrane 3, which was obtained by the cyclization reaction of triethanolamine and gamma-aminopropyltriethoxysilane. The structures of the products were characterized by H-1 NMR, P-31 NMR, IR, MS, and elemental analyses. The target compounds 4 exhibited fungicidal activity.

  DOI：

  10.1080/104265090968343
• 作为产物：
  描述：

  二甲基乙烯酮 、 对甲基苯甲醛 在 双(三甲基硅烷基)氨基钾 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 1.25h， 以89%的产率得到2,2-dimethyl-1-(4-methylphenyl)propane-1,3-diol
  参考文献：
  名称：

  Hindered Brønsted bases as Lewis base catalysts

  摘要：

  KHMDS 和 KOtBu 是公认的强效、受阻、非亲核布氏碱。然而，在本研究中，这些碱被用作高活性路易斯碱催化剂，用于烯酮与醛和亚胺的正规 [2+2] 环加成反应。

  DOI：

  10.1039/b908899g

文献信息

• A Chiral Self-Assembled Monolayer Derived from a Resolving Agent and its Performance as a Crystallization Template for an Organic Compound from Organic Solvents
  作者：Ángela Bejarano-Villafuerte、Maarten W. van der Meijden、Magalí Lingenfelder、Klaus Wurst、Richard M. Kellogg、David B. Amabilino

  DOI：10.1002/chem.201202681

  日期：2012.12.7

  A new chiral nonracemic thiol derived from a popular acidic resolving agent that incorporates a cyclic disubstituted phosphate group (phencyphos) has been prepared in enantiomerically pure form. The stereochemistry and absolute configuration were established by performing a single‐crystal X‐ray structural analysis of a synthetic intermediate. The thiol compound was used for the preparation of self‐assembled

  从对映体纯的形式制备了一种新的手性非外消旋硫醇，该手性非外消旋硫醇衍生自一种流行的酸性拆分剂，该酸性拆分剂并入了环状双取代的磷酸基团（phencyphos）。立体化学和绝对构型是通过对合成中间体进行单晶X射线结构分析而建立的。硫醇化合物用于在单晶和多晶金属金上制备自组装单层膜（SAMs），它们具有不同的表面粗糙度。单层用于促进来自与单层中存在的化合物具有相似结构的有机分子（母体phphophos）的非水溶液的晶体成核和生长。尽管表面上缺乏二维顺序，但模板层仍会影响phphophos晶体的形核和生长。苯丙氨酸的非均相成核发生在任一CHCl蒸发时化合物在SAM表面的3种或异丙醇溶液，其中蒸发速率仅影响晶体的大小和均匀性。表面的粗糙度也起着重要的作用。多晶金会产生更多均匀的样品，因为有更多的成核位点。扫描电子显微镜显示出表面上有成核和生长的清晰证据。通过使用不同的表面和溶剂获得的晶体形式的变化表
• The design of resolving agents. Chiral cyclic phosphoric acids
  作者：Wolter Ten Hoeve、Hans Wynberg

  DOI：10.1021/jo00223a018

  日期：1985.11
• Asymmetric Cyclic Phosphorothonamides Containing Substituted Pyridine
  作者：De-Qing Shi、Abudhaim Feras、Yi Liu

  DOI：10.1080/10426500600864296

  日期：2006.11.1

  In order to find high-acitivity and low-toxicity pesticidal lead compounds, a type of novel, asymmetric cyclic phosphorothonamides containing substituted pyridine were synthesized via the condensation reactions of 2-chloro-4-substitutedphenyl-5,5-dimethyl-1,3,2-dioxaphosphinane 2-sulfide with 3-aminomethylpyridine. The cis and trans isomers of the products were isolated by column chromatography on silica gel. The structures of the products were characterized by H-1 NMR, P-31 NMR, MS, and elemental analyses. The configuration of 3a was determined by X-ray diffraction analysis. The results of the preliminary bioassay showed that the new compounds possess potential fungicidal activities.
• Synthesis and Biological Activity of Cis 2-(6-Chloropyridine-3-yl)methylamino-4-substitutedphenyl-5,5-dimethyl-1,3,2-dioxaphosphinane 2-Oxides
  作者：De Qing Shi、Yi Liu、A. D. Feras、Xiao Song Tan、Jian Xin Chen

  DOI：10.1080/104265090902697

  日期：2005.8.1

  A series of novel, asymmetric-cyclic phosphoramides containing substituted pyridine were synthesized via the condensation reactions of trans 2-chloro-4-substitutedphenyl-5, 5-dimethyl-1,3,2-dioxaphosphinane 2-oxide with 2-chloro-5-aminomethylpyridine or 3-aminomethylpyridine. The reactions show good stereoselectivity. Only the cis isomer from configuration inversion was obtained, which is the thermodynamic stable product. The structures of the products were characterized by H-1 NMR, P-31 NMR, IR, MS, and elemental analysis. The configuration of the product was determined by X-ray diffraction analysis. The results of preliminary bioassay showed that the new compounds possess potential insecticidal and fungicidal activities.
• Synthesis and Fugicidal Activities of 2-Silatranyl Propylamino-4-substitued Phenyl(Hydrogen)-5,5-dimethyl-1,3,2-dioxaphosphinanes-2-oxides (Sulfides)
  作者：Shi-Guan Wan、Xing-Yu Yang、Yan Yu、Chang Liu

  DOI：10.1080/104265090968343

  日期：2005.12

  Phosphoryl-aminopropyl-silatranes 4 were synthesized by nucleophilic reactions of 2-Cl-1,3,2- dioxaphosphinanes 2 with gamma-aminopropyl-silatrane 3, which was obtained by the cyclization reaction of triethanolamine and gamma-aminopropyltriethoxysilane. The structures of the products were characterized by H-1 NMR, P-31 NMR, IR, MS, and elemental analyses. The target compounds 4 exhibited fungicidal activity.