3-异丙基-4-羟基苯甲醛 | 126274-94-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-异丙基-4-羟基苯甲醛
• 英文名称: 3-Isopropyl-4-hydroxybenzaldehyde
• 英文别名: 4-hydroxy-3-(1-methylethyl)benzaldehyde；4-hydroxy-3-isopropylbenzaldehyde；4-hydroxy-3-propan-2-ylbenzaldehyde
• CAS: 126274-94-0
• 化学式: C₁₀H₁₂O₂
• 分子量: 164.204
• InChiKey: LOPMBMHNTAAHAN-UHFFFAOYSA-N

物化性质

• 沸点：
  266.8±28.0 °C(Predicted)
• 密度：
  1.097±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-异丙基-4-羟基苯甲醛 在 氢氧化钾 、 四氯化钛 、 一水合肼 作用下， 以 二乙二醇 为溶剂， 反应 5.0h， 生成 1-[2-羟基-5-甲基-3-(1-甲基乙基)苯基]-1-丙酮
  参考文献：
  名称：

  Lewis acids catalysed Fries rearrangement of isopropylcresol esters

  摘要：

  DOI：

  10.1007/bf00809536
• 作为产物：
  描述：

  异丙苯酚 在 聚合甲醛 、 Hexamine in CHCl₃ 作用下， 以40%的产率得到3-异丙基-4-羟基苯甲醛
  参考文献：
  名称：

  Singh; Shukla; Dwivedi, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1989, vol. 28, # 8, p. 692 - 694

  摘要：

  DOI：

文献信息

• Compositions containing hydroxy aromatic aldehydes and their use in treatments
  申请人：——

  公开号：US20030157154A1

  公开（公告）日：2003-08-21

  Disclosed are pharmaceutical and cosmetic compositions containing hydroxy aromatic aldehyde compounds. The disclosed compositions are useful as topical therapeutics for treating inflammatory dermatologic conditions. The disclosed compositions are also useful in transdermal and other systemic dose forms for treating other inflammatory conditions in mammals.

  所公开的是含有羟基芳香醛化合物的药物和化妆品组合物。所公开的组合物可作为局部治疗剂用于治疗皮肤炎症。所公开的组合物还可以透皮或其他全身剂量形式用于治疗哺乳动物的其他炎症。
• Discovery of Soft-Drug Topical Tool Modulators of Sphingosine-1-phosphate Receptor 1 (S1PR1)
  作者：Mark Bell、David Foley、Claire Naylor、Gavin Wood、Colin Robinson、Jennifer Riley、Ola Epemolu、Lucy Ellis、Paul Scullion、Yoko Shishikura、Maria Osuna-Cabello、Liam Ferguson、Erika Pinto、Daniel Fletcher、Elad Katz、W. H. Irwin McLean、Paul Wyatt、Kevin D Read、Andrew Woodland

  DOI：10.1021/acsmedchemlett.8b00616

  日期：2019.3.14

  In order to study the role of S1PRs in inflammatory skin disease, S1PR modulators are dosed orally and topically in animal models of disease. The topical application of S1PR modulators in these models may, however, lead to systemic drug concentrations, which can complicate interpretation of the observed effects. We set out to design soft drug S1PR modulators as topical tool compounds to overcome this limitation. A fast follower approach starting from the drug ponesimod allowed the rapid development of an active phenolic series of soft drugs. The phenols were, however, chemically unstable. Protecting the phenol as an ester removed the instability and provided a compound that is converted by enzymatic hydrolysis in the skin to the phenolic soft drug species. In simple formulations, topical dosing of these S1PR modulators to mice led to micromolar skin concentrations but no detectable blood concentrations. These topical tools will allow researchers to investigate the role of S1PR in skin, without involvement of systemic S1PR biology.
• PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING OXY GROUP-BEARING AROMATIC ALDEHYDES
  申请人：Cutanix Corporation

  公开号：EP1443915A1

  公开（公告）日：2004-08-11
• JP2005509662A
  申请人：——

  公开号：JP2005509662A

  公开（公告）日：2005-04-14
• JP4587669B2
  申请人：——

  公开号：JP4587669B2

  公开（公告）日：2010-11-24