2,2-dimethyl-1-(3-nitrophenyl)-1,3-propandiol | 155927-19-8

• 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-(3-nitrophenyl)-1,3-propandiol
• 英文别名: 2,2-Dimethyl-1-(3-nitrophenyl)propane-1,3-diol
• CAS: 155927-19-8
• 化学式: C₁₁H₁₅NO₄
• 分子量: 225.244
• InChiKey: XAOJLAWYNXBRKL-UHFFFAOYSA-N

物化性质

• 沸点：
  403.3±35.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  86.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-1-(3-nitrophenyl)-1,3-propandiol 在 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 (2R,4R)-2-Chloro-5,5-dimethyl-4-(3-nitro-phenyl)-[1,3,2]dioxaphosphinane 2-oxide
  参考文献：
  名称：

  Synthesis and Biological Activity of Cis 2-(6-Chloropyridine-3-yl)methylamino-4-substitutedphenyl-5,5-dimethyl-1,3,2-dioxaphosphinane 2-Oxides

  摘要：

  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.

  DOI：

  10.1080/104265090902697
• 作为产物：
  描述：

  间硝基苯甲醛 、 异丁醛 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 生成 2,2-dimethyl-1-(3-nitrophenyl)-1,3-propandiol
  参考文献：
  名称：

  Synthesis and Biological Activity of Cis 2-(6-Chloropyridine-3-yl)methylamino-4-substitutedphenyl-5,5-dimethyl-1,3,2-dioxaphosphinane 2-Oxides

  摘要：

  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.

  DOI：

  10.1080/104265090902697

文献信息

• The design of resolving agents. Chiral cyclic phosphoric acids
  作者：Wolter Ten Hoeve、Hans Wynberg

  DOI：10.1021/jo00223a018

  日期：1985.11
• A FACILE SYNTHESIS OF DERIVATIVES OF 4-ARYL-1,3,2-DIOXAPHOSPHORINANE-2-SULFIDE VIA LAWESSON'S REAGENT
  作者：Liang-Nian He、Kai Li、Yan-Ping Luo、Xiao-Peng Liu、Ming-Wu Ding、Qing-Chun Zhou、Tian-Jie Wu、Fei Cai

  DOI：10.1080/10426500008045001

  日期：2000.1

  The derivatives of 4-aryl-1,3,2-dioxaphosphorinane-2-sulfide, namely, 4-aryl-5,5-dimethyl-1,3,2-dioxaphosphorinane-2-sulfides (6) were synthesized in moderate yields by the cyclization reaction of 1-aryl-2,2-dimerhyl-1,3-propanediols(5) with Lawesson's reagent using acetonitrile as a solvent. 8-Membered cyclic trithiopyrophosphonates (7) were isolated as side-products.
• HOEVE, W. TEN;WYNBERG, H., J. ORG. CHEM., 1985, 50, N 23, 4508-4514
  作者：HOEVE, W. TEN、WYNBERG, H.

  DOI：——

  日期：——