2-<1-Naphthoxy>-2-methyl-propionylchlorid | 2007-10-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-<1-Naphthoxy>-2-methyl-propionylchlorid
• 英文别名: 2-Methyl-2-(1-naphthyloxy)propanoyl chloride；2-methyl-2-naphthalen-1-yloxypropanoyl chloride
• CAS: 2007-10-5
• 化学式: C₁₄H₁₃ClO₂
• mdl: MFCD12197861
• 分子量: 248.709
• InChiKey: DZCPSVQCXLAEKZ-UHFFFAOYSA-N

物化性质

• 沸点：
  352.6±15.0 °C(Predicted)
• 密度：
  1.209±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  2-<1-Naphthoxy>-2-methyl-propionylchlorid 在 草酰氯 作用下， 以 二氯甲烷 为溶剂， 生成 2-methyl-2-(3-trifluoromethyl-phenoxy)-propionyl chloride
  参考文献：
  名称：

  Pd(II)-Catalyzed ortho- or meta-C–H Olefination of Phenol Derivatives

  摘要：

  A combination of weakly coordinating auxiliaries and ligand acceleration allows for the development of both ortho- and meta-selective C-H olefination of phenol derivatives. These reactions demonstrate the feasibility of directing C-H functionalizations when functional groups are distal to target C-H bonds. The meta-C-H functionalization of electron-rich phenol derivatives is unprecedented and orthogonal to previous electrophilic substitution of phenols in terms of regioselectivity. These methods are also applied to functionalize alpha-phenoxyacetic acids, a fibrate class of drug scaffolds.

  DOI：

  10.1021/ja400659s
• 作为产物：
  描述：

  2-甲基-2-(1-萘氧基)丙酸 在 氯化亚砜 作用下， 生成 2-<1-Naphthoxy>-2-methyl-propionylchlorid
  参考文献：
  名称：

  β-肾上腺素能阻断剂。VI。在链烷醇侧链中具有烷基取代基的普萘洛尔和普萘洛尔类似物。

  摘要：

  DOI：

  10.1021/jm00304a019

文献信息

• .beta.-Adrenergic blocking agents. VI. Pronethalol and propranolol analogs with alkyl substituents in the alkanol side chain
  作者：Ralph Howe

  DOI：10.1021/jm00304a019

  日期：1969.7
• Pd(II)-Catalyzed <i>ortho</i>- or <i>meta</i>-C–H Olefination of Phenol Derivatives
  作者：Hui-Xiong Dai、Gang Li、Xing-Guo Zhang、Antonia F. Stepan、Jin-Quan Yu

  DOI：10.1021/ja400659s

  日期：2013.5.22

  A combination of weakly coordinating auxiliaries and ligand acceleration allows for the development of both ortho- and meta-selective C-H olefination of phenol derivatives. These reactions demonstrate the feasibility of directing C-H functionalizations when functional groups are distal to target C-H bonds. The meta-C-H functionalization of electron-rich phenol derivatives is unprecedented and orthogonal to previous electrophilic substitution of phenols in terms of regioselectivity. These methods are also applied to functionalize alpha-phenoxyacetic acids, a fibrate class of drug scaffolds.
• Pekala, Elzbieta; Gajewczyk, Leonard; Marona, Henryk, Acta Poloniae Pharmaceutica, 1994, vol. 51, # 4-5, p. 339 - 342
  作者：Pekala, Elzbieta、Gajewczyk, Leonard、Marona, Henryk

  DOI：——

  日期：——