1-(3-碘-2-甲基苯基)乙酮 | 52164-39-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(3-碘-2-甲基苯基)乙酮
• 英文名称: 1-(3-iodo-2-methylphenyl)ethanone
• CAS: 52164-39-3
• 化学式: C₉H₉IO
• 分子量: 260.074
• InChiKey: JCHNXZZHLXLCGI-UHFFFAOYSA-N

物化性质

• 沸点：
  298.4±28.0 °C(Predicted)
• 密度：
  1.632±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P261,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319

反应信息

• 作为反应物：
  描述：

  1-(3-碘-2-甲基苯基)乙酮 在 bis-triphenylphosphine-palladium(II) chloride 、 三乙胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 32.25h， 生成
  参考文献：
  名称：

  [EN] SUBSTITUTED TRICYCLIC COMPOUNDS
  [FR] COMPOSÉS TRICYCLIQUES SUBSTITUÉS

  摘要：

  本文披露了一般式（I）的化合物，其互变异构体，立体异构体，药用可接受的盐，其多晶形或溶剂化合物，其中，环A，环B，R1至R4和n如本处定义，用作SOS1抑制剂，用于治疗增生性、感染性和RAS病或障碍。还披露了一种合成一般式I化合物的方法，含有一般式I化合物的制药组合物，治疗增生性、感染性和RAS病或障碍的方法，例如，癌症，通过给予所述化合物和一般式I化合物与其他活性成分的组合。

  公开号：

  WO2021130731A1
• 作为产物：
  描述：

  3-碘-2-甲基苯甲腈 在 sodium hydroxide 、 氯化亚砜 作用下， 生成 1-(3-碘-2-甲基苯基)乙酮
  参考文献：
  名称：

  Gore,P.H. et al., Journal of the Chemical Society. Perkin transactions I, 1973, p. 2940 - 2948

  摘要：

  DOI：

文献信息

• [EN] SOS1 INHIBITOR AND USE THEREOF<br/>[FR] INHIBITEUR DE SOS1 ET SON UTILISATION<br/>[KO] SOS1 억제제 및 이의 용도
  申请人：KANAPH THERAPEUTICS INC

  公开号：WO2023022497A1

  公开（公告）日：2023-02-23

  화학식 I의 신규 화합물 및 이의 SOS1과 관련된 질환의 예방 또는 치료 용도를 제공한다. 본 발명의 일 양상의 신규 화합물은 SOS1와 RAS 패밀리 단백질 또는 SOS1과 RAC1의 상호작용을 저해함으로써 암 및 RAS 병증 등의 SOS1 매개된 질환의 예방 또는 치료에 유용하다.

  本发明提供了化学式I的新化合物及其用于预防或治疗与其SOS1相关的疾病。本发明的一方面的新化合物通过抑制SOS1和RAS家族蛋白或SOS1和RAC1之间的相互作用来预防或治疗SOS1介导的疾病，如癌症和RAS病变等，具有有用性。
• COMPOUND, RESIN, AND METHOD FOR PURIFYING SAME, UNDERLAYER FILM FORMATION MATERIAL FOR LITHOGRAPHY, UNDERLAYER FILM FORMING COMPOSITION, AND UNDERLAYER FILM, AND METHOD FOR FORMING RESIST PATTERN AND METHOD FOR FORMING CIRCUIT PATTERN
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：EP3279179A1

  公开（公告）日：2018-02-07

  The present invention provides a compound represented by following formula (1), wherein R1 represents a 2n-valent group having 1 to 30 carbon atoms, each of R2 to R5 independently represents a straight, branched or cyclic alkyl group having 1 to 10 carbon atoms, an aryl group having 6 to 10 carbon atoms, an alkenyl group having 2 to 10 carbon atoms, an alkoxy group having 1 to 30 carbon atoms, a halogen atom, a thiol group or a hydroxyl group, provided that at least one selected from R1 to R5 represents a group including an iodine atom and at least one R4 and/or at least one R5 represent/represents one or more selected from the group consisting of a hydroxyl group and a thiol group, each of m2 and m3 independently represents an integer of 0 to 8, each of m4 and m5 independently represents an integer of 0 to 9, provided that m4 and m5 do not represent 0 at the same time, n represents an integer of 1 to 4, and each of p2 to p5 independently represents an integer of 0 to 2.

  本发明提供了由下式（1）代表的化合物、 其中 R1 代表具有 1 至 30 个碳原子的 2n 价基团，R2 至 R5 各自独立地代表具有 1 至 10 个碳原子的直链、支链或环状烷基、具有 6 至 10 个碳原子的芳基、具有 2 至 10 个碳原子的烯基、具有 1 至 30 个碳原子的烷氧基、卤素原子、硫醇基或羟基、m2和m3各自独立地代表0至8的整数，m4和m5各自独立地代表0至9的整数，但m4和m5不能同时代表0，n代表1至4的整数，p2至p5各自独立地代表0至2的整数。
• Compound, resin, and purification method thereof, material for forming underlayer film for lithography, composition for forming underlayer film, and underlayer film, as well as resist pattern forming method and circuit pattern forming method
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：US10747112B2

  公开（公告）日：2020-08-18

  The present invention provides a compound represented by following formula (1), wherein R1 represents a 2n-valent group having 1 to 30 carbon atoms, each of R2 to R5 independently represents a straight, branched or cyclic alkyl group having 1 to 10 carbon atoms, an aryl group having 6 to 10 carbon atoms, an alkenyl group having 2 to 10 carbon atoms, an alkoxy group having 1 to 30 carbon atoms, a halogen atom, a thiol group or a hydroxyl group, provided that at least one selected from R1 to R5 represents a group including an iodine atom and at least one R4 and/or at least one R5 represent/represents one or more selected from the group consisting of a hydroxyl group and a thiol group, each of m2 and m3 independently represents an integer of 0 to 8, each of m4 and m5 independently represents an integer of 0 to 9, provided that m4 and m5 do not represent 0 at the same time, n represents an integer of 1 to 4, and each of p2 to p5 independently represents an integer of 0 to 2.

  本发明提供了由下式（1）代表的化合物、 其中 R1 代表具有 1 至 30 个碳原子的 2n 价基团，R2 至 R5 各自独立地代表具有 1 至 10 个碳原子的直链、支链或环状烷基、具有 6 至 10 个碳原子的芳基、具有 2 至 10 个碳原子的烯基、具有 1 至 30 个碳原子的烷氧基、卤素原子、硫醇基或羟基、m2和m3各自独立地代表0至8的整数，m4和m5各自独立地代表0至9的整数，但m4和m5不能同时代表0，n代表1至4的整数，p2至p5各自独立地代表0至2的整数。
• COMPOUND, RESIN, AND PURIFICATION METHOD THEREOF, MATERIAL FOR FORMING UNDERLAYER FILM FOR LITHOGRAPHY, COMPOSITION FOR FORMING UNDERLAYER FILM , AND UNDERLAYER FILM, AS WELL AS RESIST PATTERN FORMING METHOD AND CIRCUIT PATTERN FORMING METHOD.
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：EP3279179B1

  公开（公告）日：2019-12-18
• COMPOUND, RESIN, AND PURIFICATION METHOD THEREOF, MATERIAL FOR FORMING UNDERLAYER FILM FOR LITHOGRAPHY, COMPOSITION FOR FORMING UNDERLAYER FILM, AND UNDERLAYER FILM, AS WELL AS RESIST PATTERN FORMING METHOD AND CIRCUIT PATTERN FORMING METHOD
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：US20180095368A1

  公开（公告）日：2018-04-05

  The present invention provides a compound represented by following formula (1), wherein R 1 represents a 2n-valent group having 1 to 30 carbon atoms, each of R 2 to R 5 independently represents a straight, branched or cyclic alkyl group having 1 to 10 carbon atoms, an aryl group having 6 to 10 carbon atoms, an alkenyl group having 2 to 10 carbon atoms, an alkoxy group having 1 to 30 carbon atoms, a halogen atom, a thiol group or a hydroxyl group, provided that at least one selected from R 1 to R 5 represents a group including an iodine atom and at least one R 4 and/or at least one R 5 represent/represents one or more selected from the group consisting of a hydroxyl group and a thiol group, each of m 2 and m 3 independently represents an integer of 0 to 8, each of m 4 and m 5 independently represents an integer of 0 to 9, provided that m 4 and m 5 do not represent 0 at the same time, n represents an integer of 1 to 4, and each of p 2 to p 5 independently represents an integer of 0 to 2.