3-Methyl-4-phenyl-butane-1,3-diol | 96998-34-4

• 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: 3-Methyl-4-phenyl-butane-1,3-diol
• 英文别名: 3-methyl-4-phenylbutane-1,3-diol
• CAS: 96998-34-4
• 化学式: C₁₁H₁₆O₂
• 分子量: 180.247
• InChiKey: HUUGJOUDIBMFOS-UHFFFAOYSA-N

物化性质

• 沸点：
  334.4±30.0 °C(Predicted)
• 密度：
  1.080±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.36
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  40.46
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-Methyl-4-phenyl-butane-1,3-diol 、 对甲苯磺酰氯 在 吡啶 作用下， 以75%的产率得到2-Benzyl-4-(p-toluolsulfonyloxy)-butan-2-ol
  参考文献：
  名称：

  Mutation and inhibition studies of mevalonate 5-diphosphate decarboxylase

  摘要：

  Mevalonate 5-diphosphate decarboxylase plays an important role in regulating cholesterol biosynthesis, which was studied through incubation with various synthetic substrate analogs and characterization of mutated enzymes. The results are potentially useful for further developing inhibitors that block the mevalonate pathway which is a drug target for treating cardiovascular disease and cancer. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.033
• 作为产物：
  描述：

  4-羟基-2-丁酮 、 alkaline earth salt of/the/ methylsulfuric acid 在 magnesium 作用下， 以50%的产率得到3-Methyl-4-phenyl-butane-1,3-diol
  参考文献：
  名称：

  Mutation and inhibition studies of mevalonate 5-diphosphate decarboxylase

  摘要：

  Mevalonate 5-diphosphate decarboxylase plays an important role in regulating cholesterol biosynthesis, which was studied through incubation with various synthetic substrate analogs and characterization of mutated enzymes. The results are potentially useful for further developing inhibitors that block the mevalonate pathway which is a drug target for treating cardiovascular disease and cancer. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.033

文献信息

• Non-enzymatic asymmetric synthesis of (R)-(-)- and (S)-(+)-mevalolactone in high enantiomeric purity
  作者：Stephen V. Frye、Ernest L. Eliel

  DOI：10.1021/jo00218a031

  日期：1985.9
• Mutation and inhibition studies of mevalonate 5-diphosphate decarboxylase
  作者：Yongge Qiu、Jinbo Gao、Fei Guo、Yuqin Qiao、Ding Li

  DOI：10.1016/j.bmcl.2007.09.033

  日期：2007.11

  Mevalonate 5-diphosphate decarboxylase plays an important role in regulating cholesterol biosynthesis, which was studied through incubation with various synthetic substrate analogs and characterization of mutated enzymes. The results are potentially useful for further developing inhibitors that block the mevalonate pathway which is a drug target for treating cardiovascular disease and cancer. (C) 2007 Elsevier Ltd. All rights reserved.