2,4-二甲基-1(2H)-异喹啉酮 | 33930-75-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 中文名称: 2,4-二甲基-1(2H)-异喹啉酮
• 英文名称: 2,4-dimethylisoquinolin-1(2H)-one
• 英文别名: N-methyl-4-methyl-isoquinolin-1-one；2,4-dimethyl-2H-isoquinolin-1-one；2,4-dimethylisoquinolin-1-one
• CAS: 33930-75-5
• 化学式: C₁₁H₁₁NO
• 分子量: 173.214
• InChiKey: QJXJBMFDTPYJQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933790090

反应信息

• 作为产物：
  描述：

  2-碘苯甲基溴 在 tris(dibenzylideneacetone)dipalladium(0) chloroform complex 、 三苯基膦 TEA 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.75h， 生成 2,4-二甲基-1(2H)-异喹啉酮
  参考文献：
  名称：

  New 4-Spiroannulated Tetrahydroisoquinolines by a One-Pot Sequential Procedure. Isolation and Characterization of σ-Alkylpalladium Heck Intermediates

  摘要：

  A simple and efficient entry to new tetrahydroisoquinolines 4-spiroannulated to a five-membered heterocyclic ring has been achieved starting from secondary N-allylamines and involving sequential 2-iodobenzylation/intramolecular Heck reaction/1,3-dipolar cycloaddition. A variety of Heck cyclization conditions were surveyed. When using Pd(PPh3)(4) as catalyst, stable sigma-alkylpalladium iodide complexes were isolated and characterizated.

  DOI：

  10.1021/ol061693c

文献信息

• CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION
  申请人：Manoharan Muthiah

  公开号：US20120035115A1

  公开（公告）日：2012-02-09

  The invention features compounds of formula I or II: In one embodiment, the invention relates compounds and processes for conjugating ligand to oligonucleotide. The invention further relates to methods for treating various disorders and diseases such as viral infections, bacterial infections, parasitic infections, cancers, allergies, autoimmune diseases, immunodeficiencies and immunosuppression.

  该发明涉及公式I或II的化合物：在一种实施方式中，该发明涉及化合物和用于将配体与寡核苷酸结合的过程。该发明进一步涉及治疗各种疾病和疾病的方法，例如病毒感染、细菌感染、寄生虫感染、癌症、过敏、自身免疫疾病、免疫缺陷和免疫抑制。
• Ni(0) catalyzed reactions of aryl and vinyl halides with alkenes and alkynes
  作者：Suresh Iyer、Chinnasamy Ramesh、A. Ramani

  DOI：10.1016/s0040-4039(97)10240-4

  日期：1997.12

  Ni[P(OPh)3]4 and Ni[P(OEt)3]4 catalyze the reaction of aryl and vinyl halides with olefins (Heck reaction) and alkynes.

  Ni [P（OPh）3 ] 4和Ni [P（OEt）3 ] 4催化芳基卤化物和乙烯基卤化物与烯烃的反应（Heck反应）和炔烃。
• The Vinylation of Aryl and Vinyl Halides Catalyzed by Copper Salts
  作者：Suresh Iyer、Chinnasamy Ramesh、Anjana Sarkar、Prakash P Wadgaonkar

  DOI：10.1016/s0040-4039(97)10122-8

  日期：1997.11

  Copper (I) bromide and copper (I) iodide catalyzed the vinylation of aryl and vinyl iodides to give the corresponding vinylated products in good to high yields. © 1997 Elsevier Science Ltd.

  溴化铜（I）和碘化铜（I）催化芳基碘化物和乙烯基碘化物的乙烯基化，从而以高至高收率得到相应的乙烯基化产物。©1997爱思唯尔科学有限公司。
• HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS
  申请人：Arista Luca

  公开号：US20100261758A1

  公开（公告）日：2010-10-14

  Compounds of Formula (I) wherein R 1 is aryl, cyclohexyl or heterocyclyl, or (C 1-4 )alkyl substituted by aryl, cyclohexyl or heterocyclyl, R 2 is defined heterocyclyl, R 3 is alkyl, aryl, cyclohexyl or heterocyclyl, or (C 1-4 )alkyl substituted by aryl, cyclohexyl or heterocyclyl, R 4 is H or alkyl, or R 3 and R 4 together with the carbon atom to which they are attached are cycloalkyl fused with aryl, and their use as pharmaceuticals.

  化合物的公式（I），其中R1是芳基，环己基或杂环基，或被芳基，环己基或杂环基取代的（C1-4）烷基，R2是定义的杂环基，R3是烷基，芳基，环己基或杂环基，或被芳基，环己基或杂环基取代的（C1-4）烷基，R4是H或烷基，或R3和R4与它们所连接的碳原子一起是环状烷基与芳基融合，以及它们作为药物的用途。
• Thioenamide photochemistry
  作者：Axel Couture、Regine Dubiez、Alain Lableche-Combier

  DOI：10.1039/c39820000842

  日期：——

  In contrast with their oxo-analogues, thioenamides undergo photochemical cyclization to yield isoquinolinethione derivatives which are easily converted into isoquinolones and tetrahydroisoquinolines by treatment with benzeneseleninic anhydride and EtO3BF4–NaBH4, respectively.

  与它们的羰基类似物相反，硫烯酰胺经过光化学环化反应生成异喹啉硫酮衍生物，通过分别用苯硒二酸酐和EtO 3 BF 4 -NaBH 4处理，异硫氰酸衍生物很容易转化为异喹啉酮和四氢异喹啉。