6-氟-2-(甲硫基)苯甲醛 | 153798-06-2

• 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: 6-氟-2-(甲硫基)苯甲醛
• 英文名称: 2-fluoro-6-(methylthio)benzaldehyde
• 英文别名: 2-fluoro-6-methylsulfanylbenzaldehyde
• CAS: 153798-06-2
• 化学式: C₈H₇FOS
• 分子量: 170.207
• InChiKey: YHFJYKGTZBMBQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-氟-2-(甲硫基)苯甲醛 在 bis(norbornadiene)rhodium(l)tetrafluoroborate 、 氢气 、 potassium carbonate 、 copper(I) bromide 、 1,2-双(二环己基磷基)-乙烷 作用下， 以 1,2-二氯乙烷 、 丙酮 为溶剂， 反应 28.0h， 生成 1-(2-fluoro-6-(phenylethynyl)phenyl)nonan-1-one
  参考文献：
  名称：

  A rhodium-catalysed Sonogashira-type coupling exploiting C–S functionalisation: orthogonality with palladium-catalysed variants

  摘要：

  一种铑（ⅰ）催化剂介导了芳基甲基硫醚与末端炔烃之间的选择性高效偶联反应，从而提供Sonogashira类产物。

  DOI：

  10.1039/c9cc00092e
• 作为产物：
  描述：

  sodium thiomethoxide 、 2,6-二氟苯甲醛 以 二甲基亚砜 为溶剂， 以61%的产率得到6-氟-2-(甲硫基)苯甲醛
  参考文献：
  名称：

  Urokinase inhibitors

  摘要：

  揭示了对抑制尿激酶活性有用的苯并噻吩和噻吩噻吩衍生物。

  公开号：

  US05340833A1

文献信息

• Rhodium(III)‐Catalyzed Aldehyde C−H Activation and Functionalization with Dioxazolones: An Entry to Imide Synthesis
  作者：Joe Massouh、Antoine Petrelli、Virginie Bellière‐Baca、Damien Hérault、Hervé Clavier

  DOI：10.1002/adsc.202101099

  日期：2022.2.15

  A rhodium(III)-based catalytic system has been used to develop a C−H bond activation of benzaldehyde derivatives and subsequent functionalization with dioxazolones in order to afford imides. The importance of the nature of the directing group to perform selectively the aldehydic C−H bond activation has been highlighted. The scope investigation showed that this transformation could be applied to various

  铑 (III) 基催化体系已被用于开发苯甲醛衍生物的 C-H 键活化和随后用二恶唑酮官能化以提供酰亚胺。已经强调了导向基团的性质对选择性地进行醛类 C-H 键活化的重要性。范围调查表明，这种转化可以应用于各种二恶唑酮和许多苯甲醛衍生物以及丙烯醛衍生物。酰亚胺产物的衍生反应证明了这种铑催化的醛 C-H 酰胺化的合成效用。
• Direct Synthesis of Highly Substituted Pyrroles and Dihydropyrroles Using Linear Selective Hydroacylation Reactions
  作者：Manjeet K. Majhail、Paul M. Ylioja、Michael C. Willis

  DOI：10.1002/chem.201600311

  日期：2016.6.1

  diphosphine ligands, such as (Cy2 P)2 NMe or bis(diphenylphosphino)methane (dppm), are effective at catalysing the union of aldehydes and propargylic amines to deliver the linear hydroacylation adducts in good yields and with high selectivities. In situ treatment of the hydroacylation adducts with p-TSA triggers a dehydrative cyclisation to provide the corresponding pyrroles. The use of allylic amines, in place

  含有小咬角二膦配体（例如 (Cy2 P)2 NMe 或双(二苯基膦)甲烷 (dppm)）的铑 (I) 催化剂可有效催化醛和炔丙胺的结合，以良好的方式生成线性加氢酰化加合物。产率和高选择性。用 p-TSA 对加氢酰化加合物进行原位处理会引发脱水环化，从而提供相应的吡咯。使用烯丙胺代替炔丙底物可产生官能化的二氢吡咯。加氢酰化反应也可以在级联过程中与使用芳基硼酸的Rh(I)催化的Suzuki型偶联结合起来，提供高度取代的吡咯的三组分组装体。
• NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT
  申请人：TAIHO PHARMACEUTICAL CO., LTD.

  公开号：US20170066772A1

  公开（公告）日：2017-03-09

  An object to be solved by the present invention is to provide a novel pyrrolopyrimidine compound or a salt thereof having an NAE inhibitory action and a cell growth inhibitory effect. The present invention provides a compound or a salt thereof represented by Formula (A), as well as an NAE inhibitor, a pharmaceutical composition, and an antitumor agent comprising the compound or a salt thereof as an active ingredient.

  本发明要解决的问题是提供一种具有NAE抑制作用和细胞生长抑制作用的新型吡咯吡嘧啶化合物或其盐。本发明提供了由化学式（A）表示的化合物或其盐，以及一种NAE抑制剂、含有该化合物或其盐作为活性成分的药物组合物和抗肿瘤剂。
• Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors
  申请人：Eisai Co., Ltd.

  公开号：EP0568289A2

  公开（公告）日：1993-11-03

  Disclosed are benzothiophene and thienothiophene derivatives useful for inhibiting urokinase activiy. Novel components of the formula : wherein R1 is H, NH2, or a halogen ; each R2-R5, independently, is a H, halogen, hydroxy, amino, nitro or organic group, provided that at least one R2-R5 is an organic group which includes 5 carbons or greater, an organic group which contains a sulfur atom or hydroxy, an unsaturated organic group, or a cyclic organic group ; and each R6 and R7, independently, is H or a straight chain alkyl group of between 1 and 6 carbons of the formula : wherein R1 is H, NH2, or a halogen ; each R2-R5, independently, is a H, halogen, hydroxy, amino, nitro, or organic group, provided that at least one of R2-R5 is a group other than H, OH, NO2, CN, a halogen, an alkyl group of between 1 and 4 carbons, an alkoxy group of between 1 and 4 carbons, a haloalkyl group of between 1 and 4 carbons, a haloalkoxy group of between 1 and 4 carbons, an amino group, an amino group substituted with an alkyl group of between 1 and 4 carbons, a nitrile group, or a carboxamidine group, and further provided that no two adjacent R2-R5 groups together form a methylenedioxy group ; and each R6 and R7, independently, is H or a straight chain alkyl group of between 1 and 6 carbons and of the formula : wherein at least one of X, Y, or Z must be C ; at least one of X, Y, or Z must be O, N, or S ; and, if more than one of X, Y, or Z is O, N, or S, then at least one of those groups is N ; R1 is H, NH2, or a halogen ; each R2, R3, or R5, independently, is a H, halogen, or organic group ; and each R6 and R7, independently, is H or a straight chain alkyl group of between 1 and 6 carbons are described.

  公开了可用于抑制尿激酶活性的苯并噻吩和噻吩衍生物。式中的新成分......： 其中 R1 是 H、NH2 或卤素； 每个 R2-R5 分别是 H、卤素、羟基、氨基、硝基或有机基团、 但至少有一个 R2-R5 是包含 5 个碳原子或更多碳原子的有机基团、包含硫原子或羟基的有机基团、不饱和有机基团或环状有机基团；以及 每个 R6 和 R7 分别是 H 或式 1 至 6 碳原子的直链烷基： 其中 R1 是 H、NH2 或卤素； 每个 R2-R5 独立地为 H、卤素、羟基、氨基、硝基或有机基团、 条件是 R2-R5 中至少有一个是除 H、OH、NO2、CN、卤素、1-4 碳原子的烷基、1-4 碳原子的烷氧基、1-4 碳原子的卤代烷基、1-4 碳原子的卤代烷氧基以外的基团、氨基、被 1 至 4 个碳原子的烷基取代的氨基、腈基或羧酰胺基，且相邻两个 R2-R5 基团均不形成亚甲基二氧基......；且 每个 R6 和 R7 分别是 H 或 1 至 6 个碳原子的直链烷基，其式为......： 其中 X、Y 或 Z 中至少有一个必须是 C；X、Y 或 Z 中至少有一个必须是 O、N 或 S；如果 X、Y 或 Z 中不止一个是 O、N 或 S，则这些基团中至少有一个是 N； R1 是 H、NH2 或卤素； 每个 R2、R3 或 R5 分别是 H、卤素或有机基团；以及 每个 R6 和 R7 独立地为 H 或 1 至 6 个碳原子的直链烷基。
• ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：EP3395345A1

  公开（公告）日：2018-10-31

  Disclosed is an antitumor effect potentiator for one or more other compounds having an antitumor effect, the antitumor effect potentiator comprising a novel pyrrolopyrimidine compound.

  本发明公开了一种用于一种或多种具有抗肿瘤效果的其他化合物的抗肿瘤效果增效剂，该抗肿瘤效果增效剂包括一种新型吡咯并嘧啶化合物。