1-异丙基-3-甲氧基-5-甲基-苯 | 91967-53-2

• 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: 1-异丙基-3-甲氧基-5-甲基-苯
• 英文名称: 5-isopropyl-3-methylanisole
• 英文别名: thymol methyl ether；5-Methoxy-1-methyl-3-isopropyl-benzol；3-Methyl-5-isopropyl-phenol-methylether；1-Methoxy-3-methyl-5-(propan-2-yl)benzene；1-methoxy-3-methyl-5-propan-2-ylbenzene
• CAS: 91967-53-2
• 化学式: C₁₁H₁₆O
• 分子量: 164.247
• InChiKey: SNBUMPJLHQPLII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-异丙基-3-甲氧基-5-甲基-苯 在 2-双环己基膦-2',6'-二甲氧基联苯 、 palladium diacetate 、 potassium phosphate 、 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 4.5h， 生成 2-benzyl-1-isopropyl-5-methoxy-3-methylbenzene
  参考文献：
  名称：

  Palladium-Catalyzed Cross-Coupling of B-Benzyl-9-borabicyclo[3.3.1]nonane To Furnish Methylene-Linked Biaryls

  摘要：

  [GRAPHICS]Benzylboranes are noticeably uncommon partners within Suzuki-Miyaura coupling reactions. B-Benzyl-9-BBN was successfully coupled to a range of aryl/heteroaryl bromides, chlorides, and triflates to give pharmacologically important methylene-linked biaryl structures. Activated, deactivated, and sterically hindered substrates were successfully coupled in high yield using Pd(PPh3)(4) or Pd(OAc)(2) with SPhos as the catalyst system.

  DOI：

  10.1021/ol051929x
• 作为产物：
  描述：

  5-异丙基-3-甲酚 、 硫酸二甲酯 在 sodium hydroxide 作用下， 反应 1.5h， 以69%的产率得到1-异丙基-3-甲氧基-5-甲基-苯
  参考文献：
  名称：

  Palladium-Catalyzed Cross-Coupling of B-Benzyl-9-borabicyclo[3.3.1]nonane To Furnish Methylene-Linked Biaryls

  摘要：

  [GRAPHICS]Benzylboranes are noticeably uncommon partners within Suzuki-Miyaura coupling reactions. B-Benzyl-9-BBN was successfully coupled to a range of aryl/heteroaryl bromides, chlorides, and triflates to give pharmacologically important methylene-linked biaryl structures. Activated, deactivated, and sterically hindered substrates were successfully coupled in high yield using Pd(PPh3)(4) or Pd(OAc)(2) with SPhos as the catalyst system.

  DOI：

  10.1021/ol051929x

文献信息

• 2-HYDROXYARYLAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER CONTAINING SAME AS ACTIVE INGREDIENT
  申请人：Korea Research Institute of Bioscience and Biotechnology

  公开号：US20140221411A1

  公开（公告）日：2014-08-07

  The present invention relates to a 2-hydroxyarylamide derivative or a pharmaceutically acceptable salt thereof, a preparation method thereof, and a pharmaceutical composition for preventing or treating cancer comprising the same as an active ingredient. The 2-hydroxyarylamide derivative prepared by the present invention is excellent in the inhibition of the activity of TMPRSS4 serine protease and the suppression of the infiltration of TMPRSS4-expressed cancer cells, and thus can be useful as a composition for preventing or treating cancer by inhibiting TMPRSS4 over-expressed in cancer cells, particularly, colorectal cancer, lung cancer, breast cancer, prostate cancer, ovarian cancer, pancreatic cancer, or stomach cancer cells.

  本发明涉及一种2-羟基芳酰胺衍生物或其药用可接受的盐，其制备方法，以及作为活性成分的预防或治疗癌症的药物组合物。本发明制备的2-羟基芳酰胺衍生物在抑制TMPRSS4丝氨酸蛋白酶的活性和抑制TMPRSS4表达的癌细胞浸润方面表现出色，因此可以作为一种通过抑制癌细胞中TMPRSS4过度表达的组合物，特别是结肠癌、肺癌、乳腺癌、前列腺癌、卵巢癌、胰腺癌或胃癌细胞的预防或治疗癌症的组合物。
• AMIDES AS MODULATORS OF SODIUM CHANNELS
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：US20140221435A1

  公开（公告）日：2014-08-07

  The invention relates to amide compounds of formula I and I′ or pharmaceutically acceptable salts thereof, useful as inhibitors of sodium channels: The invention also provides pharmaceutically acceptable compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various disorders, including pain.

  该发明涉及公式I和I′的酰胺化合物或其药用盐，可用作钠通道的抑制剂：该发明还提供了包含该发明的化合物的药学上可接受的组合物，以及使用这些组合物治疗各种疾病，包括疼痛的方法。
• WDR5 INHIBITORS AND MODULATORS
  申请人：Vanderbilt University

  公开号：US20180086767A1

  公开（公告）日：2018-03-29

  Described are compounds that disrupt the WDR5-MLL1 protein-protein interaction, pharmaceutical compositions including the compounds, and methods of using the compounds and compositions for treating disorders and conditions in a subject.

  描述了破坏WDR5-MLL1蛋白-蛋白相互作用的化合物，包括这些化合物的药物组合物，以及使用这些化合物和组合物治疗受试者疾病和症状的方法。
• NOVEL ISOXAZOLE DRIVATIVE
  申请人：Ishikawa Makoto

  公开号：US20110065739A1

  公开（公告）日：2011-03-17

  Disclosed is a compound represented by formula (I) or a pharmaceutically acceptable salt thereof, which has an agonistic activity on GPR120 and is therefore useful for the treatment of diabetes, obesity or hyperlipemia. [In formula (I), the A represents a phenyl group which may be substituted by a lower alkoxy group or the like; the 13 represents a bivalent group produced by removing two hydrogen atoms from a benzene ring which may be substituted by a halogen atom or the like; X represents a lower alkylene group having 2 to 4 carbon atoms in its main chain or the like, wherein a carbon atom constituting the main chain may be substituted by an oxygen atom or the like; and Y represents a hydrogen atom or the like.]

  揭示了一种由式(I)表示的化合物或其药学上可接受的盐，该化合物对GPR120具有激动活性，因此对于治疗糖尿病、肥胖或高脂血症是有用的。【在式(I)中，A代表可能被低烷氧基或类似物取代的苯基；13代表通过从苯环中去除两个氢原子而产生的二价基团，该苯环可能被卤素原子或类似物取代；X代表具有2至4个碳原子的低烷基基团或类似物，其中构成主链的碳原子可能被氧原子或类似物取代；Y代表氢原子或类似物。】
• Iodonium Cyclophanes for SECURE Arene Functionalization
  申请人：DiMagno Stephen

  公开号：US20110190505A1

  公开（公告）日：2011-08-04

  This disclosure relates to compounds, reagents, and methods useful in the synthesis of aryl fluorides, for example, in the preparation of 18 F labeled radiotracers. For example, this disclosure provides universal “locked” aryl substituents that result in StereoElectronic Control of Unidirectional Reductive Elimination (SECURE) from diaryliodonium salts. The reagents and methods provided herein may be used to access a broad range of compounds, including aromatic compounds, heteroaromatic compounds, amino acids, nucleotides, and synthetic compounds.

  本公开涉及化合物、试剂和合成芳基氟化物的方法，例如在制备18F标记的放射追踪剂中。例如，本公开提供了通用的“锁定”芳基取代基，从二芳基碘盐中结果的立体电子控制单向还原消除（SECURE）。本文所提供的试剂和方法可用于访问广泛的化合物，包括芳香族化合物、杂环芳香族化合物、氨基酸、核苷酸和合成化合物。