1-(4-isopropoxy-3-methylphenyl)ethanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-isopropoxy-3-methylphenyl)ethanone
• 英文别名: 1-[3-Methyl-4-(propan-2-yloxy)phenyl]ethan-1-one；1-(3-methyl-4-propan-2-yloxyphenyl)ethanone
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: KHCGOVURRWYPDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 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：

  1-(4-isopropoxy-3-methylphenyl)ethanone 在 劳森试剂 、 吡啶 、 二甲酰氨基钠 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 氯仿 、 甲苯 为溶剂， 生成 2-(5-(((tert-butyldimethylsilyl)oxy)methyl)-3-ethylthiophen-2-yl)-5-(4-isopropoxy-3-methylphenyl)thiazole
  参考文献：
  名称：

  Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P3-sparing S1P1 agonists

  摘要：

  We have previously disclosed 1,2,4-oxadiazole derivative 3 as a potent S1P(3)-sparing S1P(1) agonist. Although compound 3 exhibits potent and manageable immunosuppressive efficacy in various in vivo models, recent studies have revealed that its 1,2,4-oxadiazole ring is subjected to enterobacterial decomposition. As provisions for unpredictable issues, a series of alternative compounds were synthesized on the basis of compound 3. Extensive SAR studies led to the finding of 1,3-thiazole 24c with the EC50 value of 3.4 nM for human S1P(1), and over 5800-fold selectivity against S1P(3). In rat on host versus graft reaction (HvGR), the ID50 value of 24c was determined at 0.07 mg/kg. The pharmacokinetics in rat and monkey is also reported. Compared to compound 3, 24c showed excellent stability against enterobacteria. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.03.067
• 作为产物：
  描述：

  2-碘代丙烷 、 4-羟基-3-甲基苯乙酮 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 12.0h， 以9.5 g的产率得到1-(4-isopropoxy-3-methylphenyl)ethanone
  参考文献：
  名称：

  AROMATIC COMPOUND AND USES THEREOF

  摘要：

  一种杀虫剂，包括由式（1）表示的芳香族化合物，其中R1表示卤素原子等；R3表示氢原子等；R7表示C1-C3烷基，可选地具有一个或多个卤素原子等；Z2表示卤素原子等；Z3表示C1-C3烷基，可选地具有一个或多个卤素原子等；以及Q表示以下的Q1、Q2或Q3基团，具有出色的控制活性。

  公开号：

  US20170105413A1

文献信息

• Triazine derivatives, a process for preparing the derivatives, and
  申请人：Idemitsu Kosan Company Limited

  公开号：US04680054A1

  公开（公告）日：1987-07-14

  A triazine derivative represented by the general formula: ##STR1## wherein R.sup.1 and R.sup.2 are each an alkyl group having 1 to 4 carbon atoms, and X.sup.1 and X.sup.2 are each a halogen atom, an alkyl group having 1 to 4 carbon atoms, an alkoxyl group having 1 to 4 carbon atoms, or an alkylthio group having 1 to 4 carbon atoms. This invention also provides a process for efficiently preparing said triazine derivative and a herbicide containing said triazine derivative as effective component.

  一种由以下通式表示的三嗪衍生物：##STR1## 其中R.sup.1和R.sup.2分别是具有1到4个碳原子的烷基基团，X.sup.1和X.sup.2分别是卤素原子、具有1到4个碳原子的烷基基团、具有1到4个碳原子的烷氧基基团或具有1到4个碳原子的烷基硫基团。本发明还提供了一种有效制备所述三嗪衍生物的方法和含有所述三嗪衍生物作为有效成分的除草剂。
• AROMATIC COMPOUND AND USE THEREOF
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160311775A1

  公开（公告）日：2016-10-27

  An aromatic compound represented by formula (1): wherein R 1 and R 2 each independently represents a halogen atom, a C1-C4 alkyl group, or a C1-C4 haloalkyl group; m and n each independently represents an integer of 0 to 4; R 3 and R 4 each represents a hydrogen atom; Y represents formula: —OC(═X)ZR 5 or —SC(═X)ZR 5 ; R 5 represents a C1-C3 alkyl group optionally having one or more halogen atoms; Z represents a sulfur atom, NR 8 , or a direct bond; R 8 represents a C1-C3 alkyl group or a hydrogen atom; Q represents a pyrazolyl group optionally having a substituent; and W and X each independently represents an oxygen atom or a sulfur atom, has excellent control activity against pests.

  一种由化学式（1）表示的芳香化合物：其中R1和R2分别独立表示卤素原子、C1-C4烷基基团或C1-C4卤代烷基基团；m和n分别独立表示0至4的整数；R3和R4分别表示氢原子；Y表示化学式：—OC(═X)ZR5或—SC(═X)ZR5；R5表示一个C1-C3烷基基团，可选地具有一个或多个卤素原子；Z表示硫原子、NR8或直接键；R8表示一个C1-C3烷基基团或氢原子；Q表示一个吡唑基团，可选地具有一个取代基；W和X分别独立表示氧原子或硫原子，对害虫具有优异的控制活性。
• 四唑啉酮化合物及其应用
  申请人：住友化学株式会社

  公开号：CN105263921B

  公开（公告）日：2017-07-21

  由式(1)表示的四唑啉酮化合物对于害虫具有优异的防治活性：其中R1表示任选地具有氟原子的C1‑C3烷基等；R2和R4表示氢原子等；R3表示氢原子等；Z1表示任选地具有卤素原子的C1‑C3烷基等；Z2表示任选地具有卤素原子的C1‑C3烷氧基，C3‑C4炔氧基等；Z3表示氢原子，任选地具有卤素原子的C1‑C3烷基等；并且X表示氧原子等。
• TETRAZOLINONE COMPOUND AND APPLICATION OF SAME
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160081340A1

  公开（公告）日：2016-03-24

  A tetrazolinone compound represented by formula (1): wherein R 1 represents a C1-C3 alkyl group optionally having a fluorine atom, etc.; R 2 and R 4 represents a hydrogen atom, etc.; R 3 represents a hydrogen atom, etc.; Z 1 represents a C1-C3 alkyl group optionally having a halogen atom, etc.; Z 2 represents a C1-C3 alkoxy group optionally having a halogen atom, a C3-C4 alkynyloxy group, etc.; Z 3 represents a hydrogen atom, a C1-C3 alkyl group optionally having a halogen atom, etc.; and X represents an oxygen atom, etc., has excellent control activity against pests.

  一种由化学式（1）表示的四唑酮化合物：其中R1代表一个C1-C3烷基基团，可选地含有氟原子等；R2和R4代表氢原子等；R3代表氢原子等；Z1代表一个C1-C3烷基基团，可选地含有卤原子等；Z2代表一个C1-C3烷氧基基团，可选地含有卤原子、C3-C4炔氧基团等；Z3代表氢原子、一个C1-C3烷基基团，可选地含有卤原子等；X代表氧原子等，对害虫有出色的控制活性。
• ANTIPROLIFERATIVE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Celgene Corporation

  公开号：US20200163948A1

  公开（公告）日：2020-05-28

  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.

  本文揭示了化学式I的化合物，用于治疗、预防或管理癌症。还揭示了治疗、预防或管理癌症的方法，例如治疗白血病，包括给予这些化合物。在某些实施例中，治疗方法包括与第二药物联合给药。此外，还揭示了包含这些化合物的药物组合物和单剂量形式。