4-hydroxy-2-isopropyl-benzaldehyde | 84694-00-8

• 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: 4-hydroxy-2-isopropyl-benzaldehyde
• 英文别名: 4-Hydroxy-2-isopropylbenzaldehyde；4-hydroxy-2-propan-2-ylbenzaldehyde
• CAS: 84694-00-8
• 化学式: C₁₀H₁₂O₂
• mdl: MFCD16997130
• 分子量: 164.204
• InChiKey: NIAUHSFUZOOBGB-UHFFFAOYSA-N

物化性质

• 沸点：
  301.1±30.0 °C(Predicted)
• 密度：
  1.072±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：

  4-hydroxy-2-isopropyl-benzaldehyde 在 氢氧化钾 、 potassium carbonate 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 2.0h， 生成 3-hydroxy-5-(2'-isopropyl-4'-methoxyphenyl)-4-methylfuran-2(5H)-one
  参考文献：
  名称：

  Letcher, Roy M.; Lee, Chi-Fai, Journal of Chemical Research, Miniprint, 1996, # 8, p. 2001 - 2015

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(tert-butyl-dimethyl-silanyloxy)-2-isopropyl-benzaldehyde 在 n-tetrabutylammonium fluoride 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以96%的产率得到4-hydroxy-2-isopropyl-benzaldehyde
  参考文献：
  名称：

  Compounds having activity as inhibitors of cytochrome P450RAI

  摘要：

  具有式2化合物的那些化合物，其中符号具有说明书中定义的意义，是细胞色素P450RAI（视黄酸诱导的）酶的抑制剂，并用于治疗对视黄酸治疗有反应的疾病。

  公开号：

  US06369261B1

文献信息

• Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI
  申请人：Allergan Sales, Inc.

  公开号：US06313107B1

  公开（公告）日：2001-11-06

  Novel compounds having the Formulas 1 through 8, wherein the symbols have the meaning defined in the specification, and certain previously known compounds have been discovered to act as inhibitors of the cytochrome P450RAI (retinoic acid inducible) enzyme, and are used for treating diseases responsive to treatment by retinoids. The compound can also be used in co-treatment with retinoids.

  具有1至8号式的新化合物，其中符号的含义在说明书中有定义，并且已发现某些先前已知的化合物可作为细胞色素P450RAI（诱导性维生素A酸）酶的抑制剂，并用于治疗对维生素A酸治疗产生响应的疾病。该化合物还可与维生素A酸一起进行联合治疗。
• 1-imidazolyl substituted tetrahydronaphthalene derivatives as inhibitors of eytochrome P450RAI
  申请人：Allergan, Inc.

  公开号：US06603019B2

  公开（公告）日：2003-08-05

  Compounds having Formula 4 wherein the symbols have the meaning defined in the specification are inhibitors of the cytochrome P450RAI (retinoic acid inducible) enzyme, and are used for treating diseases responsive to treatment by retinoids

  具有公式4的化合物，其中符号的含义在规范中定义，是细胞色素P450RAI（诱导维甲酸）酶的抑制剂，并用于治疗对维甲酸类药物治疗有反应的疾病。
• Methods for identifying inhibitors of cytochrome P450RAI
  申请人：Vasudevan Jayasree

  公开号：US06855512B2

  公开（公告）日：2005-02-15

  A method of identifying a compound which is an inhibitor of the enzyme cytochrome P450RAI is performed by selecting a compound that has retinoid activity in an art recognized assay and includes a benzoic acid, benzoic acid ester, naphthoic acid ester or heteroaryl carboxylic acid or ester moiety, with a partial structure of —A(R 2 )—(CH 2 ) n—COOR 8 where n is 0 and the remaining variables are as described in the specification and claims. Thereafter, a compound having the cytochrome P450RAI inhibitory activity is identified and selected where the compound has the —A(R 2 )—(CH 2 ) 2 —COOR 8 partial structure wherein the variable n is 1 or 2.

  一种识别抑制酶细胞色素P450RAI的化合物的方法，包括选择在公认的试验中具有视黄醇活性的化合物，并包括苯甲酸、苯甲酸酯、萘甲酸酯或杂环羧酸或酯基团，具有部分结构- A（R2）-（CH2）n-COOR8，其中n为0，其余变量如说明书和权利要求所述。然后，识别并选择具有细胞色素P450RAI抑制活性的化合物，其中化合物具有- A（R2）-（CH2）2-COOR8部分结构，其中变量n为1或2。
• 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。
• Selective syntheses using cyclodextrin as catalyst. 1. Control of orientation in the attack of dichlorocarbene at phenolates
  作者：Makoto Komiyama、Hidefumi Hirai

  DOI：10.1021/ja00345a058

  日期：1983.4