2-(4-piperidin-1-yl-phenyl)-propan-2-ol | 52414-60-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-(4-piperidin-1-yl-phenyl)-propan-2-ol
• 英文别名: α,α-Dimethyl-p-piperidino-benzylalkohol；BENZYL ALCOHOL, alpha,alpha-DIMETHYL-4-PIPERIDINO-；2-(4-piperidin-1-ylphenyl)propan-2-ol
• CAS: 52414-60-5
• 化学式: C₁₄H₂₁NO
• 分子量: 219.327
• InChiKey: JGTLMSXILSHCMY-UHFFFAOYSA-N

物化性质

• 熔点：
  72-74 °C(Solv: ligroine (8032-32-4))
• 沸点：
  366.7±25.0 °C(Predicted)
• 密度：
  1.047±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-(4-piperidin-1-yl-phenyl)-propan-2-ol 在 盐酸 作用下， 以 水 、 丙酮 为溶剂， 反应 1.0h， 以70%的产率得到1-(p-isopropenylphenyl)piperidine
  参考文献：
  名称：

  A new paradigm for biohydroxylation by Beauveria bassiana ATCC 7159

  摘要：

  The biohydroxylation of a series of amides and related amino, keto and hydrocarbon substrates by the fungal biocatalyst Beauveria bassiana ATCC 7159 has been examined. The product distributions, together with data obtained from selective inhibition experiments using the cyt.P-450 inhibitors isosafrole, 1-aminobenzotriazole and phenylacetylene, suggest that B. bassiana contains a range of hydroxylase enzymes with different substrate specificities. A paradigm is presented for the interpretation of the results of microbial hydroxylation and for the application of existing active site models for B. bassiana. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00393-2
• 作为产物：
  描述：

  4-哌啶苯乙酮 、 甲基溴化镁 以 乙醚 为溶剂， 以86%的产率得到2-(4-piperidin-1-yl-phenyl)-propan-2-ol
  参考文献：
  名称：

  A new paradigm for biohydroxylation by Beauveria bassiana ATCC 7159

  摘要：

  The biohydroxylation of a series of amides and related amino, keto and hydrocarbon substrates by the fungal biocatalyst Beauveria bassiana ATCC 7159 has been examined. The product distributions, together with data obtained from selective inhibition experiments using the cyt.P-450 inhibitors isosafrole, 1-aminobenzotriazole and phenylacetylene, suggest that B. bassiana contains a range of hydroxylase enzymes with different substrate specificities. A paradigm is presented for the interpretation of the results of microbial hydroxylation and for the application of existing active site models for B. bassiana. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00393-2

文献信息

• HICKS T. A.; SMITH C. E.; WILLIAMSON W. R. N.; DAY E. H., J. MED. CHEM., 1979, 22, NO 12, 1460-1464
  作者：HICKS T. A.、 SMITH C. E.、 WILLIAMSON W. R. N.、 DAY E. H.

  DOI：——

  日期：——