4-isopropoxyphenylacetaldehyde | 1070165-27-3

• 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-isopropoxyphenylacetaldehyde
• 英文别名: 2-(4-Isopropoxyphenyl)acetaldehyde；2-(4-propan-2-yloxyphenyl)acetaldehyde
• CAS: 1070165-27-3
• 化学式: C₁₁H₁₄O₂
• 分子量: 178.231
• InChiKey: PANWNZMUSCYNNY-UHFFFAOYSA-N

物化性质

• 沸点：
  276.0±15.0 °C(Predicted)
• 密度：
  1.007±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-isopropoxyphenylacetaldehyde 、 methyl N-[2-(3,4-dimethoxyphenyl)ethyl]carbamate 在 三氟化硼乙醚 、 lithium aluminium tetrahydride 作用下， 以 二氯甲烷 、 氯仿 、 四氢呋喃 为溶剂， 以67%的产率得到1-(4-isopropoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Total Synthesis of (±)-Armepavines and (±)-Nuciferines From (2-Nitroethenyl)benzene Derivatives

  摘要：

  A concise route to armepavine 1 and nuciferine 2 and 3, which can be isolated from the leaves of Nelumbo nucifera (Nymphaceae), has been achieved in which the longest linear sequence is only six steps from commercially available benzaldehyde in 28%, 21%, and 20% overall yield, respectively. The key transformations in the synthesis are the radical cyclization of aryl bromide with Bu3SnH and the Pictet-Spengler reaction of N-substituted amine with aldehyde.

  DOI：

  10.1080/00397910903435411
• 作为产物：
  描述：

  4-isopropoxystyrene 在 dichloro(5,10,15,20-tetramesitylporphyrinato)ruthenium(IV) 、 air 、 碳酸氢钠 作用下， 以 氘代氯仿 、 水 为溶剂， 反应 4.5h， 以92%的产率得到4-isopropoxyphenylacetaldehyde
  参考文献：
  名称：

  通过串联环氧化-异构化途径，钌卟啉催化将末端芳基烯烃有氧氧化为醛。

  摘要：

  DOI：

  10.1002/anie.200801500

文献信息

• [EN] ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS ANTIPROLIFÉRATIFS ET MÉTHODES D'UTILISATION DESDITS COMPOSÉS
  申请人：CELGENE CORP

  公开号：WO2016007848A1

  公开（公告）日：2016-01-14

  Compounds of formula (I) for treating, preventing or managing cancer are disclosed. Also disclosed are methods of treating, preventing or managing cancer, such as leukemia, comprising administering the compounds. In certain embodiments, the method of treatment comprise administering a compound provided herein in combination with a second agent. Pharmaceutical compositions and single unit dosage forms comprising the compounds are also disclosed. In Formula (I) R1 is optionally substituted cycloalkyi, aryl, heteroaryl or heterocyclyl; and R2 and R3 are each halo.

  本发明揭示了化学式(I)的化合物，用于治疗、预防或管理癌症。同时，还揭示了治疗、预防或管理癌症的方法，例如白血病，包括给予该化合物。 在某些实施例中，治疗方法包括联合给予本文提供的化合物和第二药物。还揭示了包含该化合物的制药组合物和单剂量形式。 在化学式(I)中，R1是可选的取代环烷基，芳基，杂芳基或杂环烷基；R2和R3均为卤素。
• ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Celgene Corporation

  公开号：EP3166937A1

  公开（公告）日：2017-05-17
• MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER
  申请人：The United States of America, as represented by The Secretary, Department of Health and Human Services

  公开号：EP3237385A1

  公开（公告）日：2017-11-01
• [EN] HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES POUR L'INHIBITION DE PASK
  申请人：BIOENERGENIX

  公开号：WO2012149157A2

  公开（公告）日：2012-11-01

  Disclosed herein are new heterocyclic compounds and compositions and their application as pharmaceuticals for the treatment of disease. Methods of inhibiting PAS Kinase (PASK) activity in a human or animal subject are also provided for the treatment of diseases such as diabetes mellitus.
• [EN] MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER<br/>[FR] INHIBITEURS D'IDH1 MUTANTS UTILES POUR TRAITER LE CANCER
  申请人：USA

  公开号：WO2016106331A1

  公开（公告）日：2016-06-30

  Compounds of Formula I and Formula II and the pharmaceutically acceptable salts thereof are disclosed The variables A, B, Y, Z, X1, X2, R1-4 and R13-18 are disclosed herein. The compounds are useful for treating cancer disorders, especially those involving mutant IDH1 enzymes. Pharmaceutical compositions containing compounds of Formula I or Formula II and methods of treatment comprising administering compounds of Formula I and Formula II are also disclosed.