3-isopropyl-5-hydroxybenzaldehyde | 61345-73-1

• 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-isopropyl-5-hydroxybenzaldehyde
• 英文别名: 3-Hydroxy-5-(propan-2-YL)benzaldehyde；3-hydroxy-5-propan-2-ylbenzaldehyde
• CAS: 61345-73-1
• 化学式: C₁₀H₁₂O₂
• mdl: MFCD16997117
• 分子量: 164.204
• InChiKey: YZNLDOWUUMQMTN-UHFFFAOYSA-N

物化性质

• 沸点：
  280.3±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)：
  2.2
• 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-isopropyl-5-hydroxybenzaldehyde 、 乙酸酐 在 水 、 乙酸乙酯 、 Brine 、 Sodium sulfate-III 、 silica gel 、 EtOAc hexanes 作用下， 以 吡啶 为溶剂， 反应 1.17h， 以to provide 47.4 mg of 3-formyl-5-isopropylphenyl acetate as a yellow oil with some impurity的产率得到3-Formyl-5-isopropylphenyl acetate
  参考文献：
  名称：

  ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY

  摘要：

  本发明提供了新型的β-分泌酶抑制剂及其使用方法，包括治疗阿尔茨海默病的方法。

  公开号：

  US20100286145A1
• 作为产物：
  描述：

  3-(Hydroxymethyl)-5-isopropylphenol 、 、 乙醚 在 crude product 、 silica gel 、 EtOAc hexanes 作用下， 以 二氯甲烷 为溶剂， 反应 4.5h， 以to provide 218 mg of 3-hydroxy-5-isopropylbenzaldehyde as a pale yellow solid的产率得到3-isopropyl-5-hydroxybenzaldehyde
  参考文献：
  名称：

  ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY

  摘要：

  本发明提供了新型的β-分泌酶抑制剂及其使用方法，包括治疗阿尔茨海默病的方法。

  公开号：

  US20100286145A1

文献信息

• [EN] (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING<br/>[FR] DÉRIVÉS DE (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE ET COMPOSÉS ASSOCIÉS UTILISÉS EN TANT QU'INHIBITEURS DE LA BÊTA-SÉCRÉTASE POUR LE TRAITEMENT
  申请人：COMENTIS INC

  公开号：WO2009042694A1

  公开（公告）日：2009-04-02

  The present invention provides novel beta-secretase inhibitors and methods for their use, including methods of treating of Alzheimer's disease. (Formula)

  本发明提供了新颖的β-分泌酶抑制剂及其使用方法，包括用于治疗阿尔茨海默病的方法。
• ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY
  申请人：Ghosh Arun K.

  公开号：US20100286145A1

  公开（公告）日：2010-11-11

  The present invention provides novel beta-secretase inhibitors and methods for their use, including methods of treating of Alzheimer's disease.

  本发明提供了新型的β-分泌酶抑制剂及其使用方法，包括治疗阿尔茨海默病的方法。
• (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING
  申请人：Ghosh Arun K.

  公开号：US20100286170A1

  公开（公告）日：2010-11-11

  The present invention provides novel beta-secretase inhibitors and methods for their use, including methods of treating of Alzheimer's disease.

  本发明提供了新型β-秘鲁酶抑制剂及其使用方法，包括治疗阿尔茨海默病的方法。
• 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。
• Competitive Degradation and Detoxification of Carbamate Insecticides by Membrane Anodic Fenton Treatment
  作者：Qiquan Wang、Ann T. Lemley

  DOI：10.1021/jf034311f

  日期：2003.8.1

  The competitive degradation of six carbamate insecticides by membrane anodic Fenton treatment (AFT), a new Fenton treatment technology, was carried out in this study. The carbamates studied were dioxacarb, carbaryl, fenobucarb, promecarb, bendiocarb, and carbofuran. The results indicate that AFT can effectively degrade these insecticides in both single component and multicomponent systems. The carbamates compete for hydroxyl radicals, and their kinetics obey the previously developed AFT kinetic model quite well. Hydroxyl radical reaction rate constants were obtained, and they decrease in the following order: dioxacarb approximate to carbaryl > fenobucarb > promecarb > bendiocarb > carbofuran. The AFT is shown to have higher treatment efficiency at higher temperature. Degradation products of the carbamates were determined by gas chromatography/mass spectrometry, and it appears that degradation can be initiated by hydroxyl radical attack at different sites in the molecule, depending on the individual structure of the compound. Substituted phenols are the commonly seen degradation products. The AFT treatment can efficiently remove the chemical oxygen demand of the carbamate mixture, significantly increasing the biodegradability. Earthworm studies show that the AFT is also an effective detoxification process.