1-碘-8-甲基萘 | 199111-38-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1-碘-8-甲基萘
• 英文名称: 1-iodo-8-methylnaphthalene
• CAS: 199111-38-1
• 化学式: C₁₁H₉I
• 分子量: 268.097
• InChiKey: IKHCWKTUYGFZRY-UHFFFAOYSA-N

物化性质

• 熔点：
  62-64 °C
• 沸点：
  324.8±11.0 °C(Predicted)
• 密度：
  1.655±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  sodium phenoxide 、 1-碘-8-甲基萘 在 palladium diacetate 双二苯基膦甲烷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以52%的产率得到1-(苯氧甲基)萘
  参考文献：
  名称：

  Benzylic C–H activation and C–O bond formation via aryl to benzylic 1,4-palladium migrations

  摘要：

  A procedure for benzylic C-H activation has been developed using a palladium 1,4-aryl to benzylic migration as a key step. Carboxylates and phenoxides readily trap the resulting benzylic palladium intermediates obtained from palladium 'through space' migration. Aryl bromides and iodides have been successfully employed in this reaction, furnishing moderate to good yields. The mechanism of this reaction has been studied by deuterium-labeling experiments, which suggest that the migration of palladium from an aryl to a benzylic position occurs reversibly. The reaction conditions developed for the migration process also oxidize the neighboring benzylic alcohols to the corresponding aldehydes and ketones. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.144
• 作为产物：
  描述：

  (8-碘-1-萘)甲醇 在 三乙基硅烷 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以41%的产率得到1-碘-8-甲基萘
  参考文献：
  名称：

  Benzylic C–H activation and C–O bond formation via aryl to benzylic 1,4-palladium migrations

  摘要：

  A procedure for benzylic C-H activation has been developed using a palladium 1,4-aryl to benzylic migration as a key step. Carboxylates and phenoxides readily trap the resulting benzylic palladium intermediates obtained from palladium 'through space' migration. Aryl bromides and iodides have been successfully employed in this reaction, furnishing moderate to good yields. The mechanism of this reaction has been studied by deuterium-labeling experiments, which suggest that the migration of palladium from an aryl to a benzylic position occurs reversibly. The reaction conditions developed for the migration process also oxidize the neighboring benzylic alcohols to the corresponding aldehydes and ketones. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.144

文献信息

• Five‐ and Six‐Membered Cobaltocycles with C,P‐Chelating Ligands through Regiospecific Cyclometalation of Mono(2‐Substituted) Triphenylphosphane
  作者：Hans‐Friedrich Klein、Robert Beck、Ulrich Flörke、Hans‐Jürgen Haupt

  DOI：10.1002/ejic.200390179

  日期：2003.4

  P)}tris(trimethylphosphane)cobalt] (4). The molecular structure shows a trigonal-bipyramidal configuration of the cobalt atom accommodating a six-membered metallacycle. 2-(Diphenylphosphanyl)styrene replaces two trimethylphosphane ligands to give [2-(diphenylphosphanyl)styrene-(C,C-η2,P)}methylbis(trimethylphosphane)cobalt] (5), avoiding metalation. Replacement of equatorial trimethylphosphane in compounds

  [CoCH3(PMe3)4]与5-(二苯基膦酰基)-1,2,3,4-四氢萘反应生成[8-(二苯基膦酰基)-1,2,3,4 -tetrahydronaphthyl-(C1,P)}tris(trimethylphosphane)cobalt] (1)，包含一个五元金属环，如分子结构所示。1-(二苯基膦基)萘相应地反应，得到[8-(二苯基膦基)萘基-(C1，P)}三(三甲基膦)钴](2)，2-(二苯基膦基)联苯产生邻位金属化的[2- (二苯基膦基)-3-苯基苯基-(C1,P)}三(三甲基膦)钴] (3)，包含一个四元金属环。1-(二苯基膦基)-8-甲基萘在脂肪族取代基中被金属化以形成[[8-(二苯基膦基)萘-1-基]甲基-(C,P)}三(三甲基膦)钴] (4)。分子结构显示了容纳六元金属环的钴原子的三角-双锥体构型。2-(二苯基膦基)苯乙烯取代两个三甲基膦配体得到[2-(二苯基膦基)苯乙烯-(C
• [EN] INHIBITORS OF KRAS G12C<br/>[FR] INHIBITEURS DE KRAS G12C
  申请人：BEIGENE LTD

  公开号：WO2021058018A1

  公开（公告）日：2021-04-01

  Disclosed herein are compounds that inhibit KRas G12C, pharmaceutical compositions, methods of preparation and uses thereof.

  本文揭示了一些抑制KRas G12C的化合物，包括制备方法、药物组合物以及使用方法。
• CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME
  申请人：SAMSUNG ELECTRONICS CO., LTD.

  公开号：US20170237015A1

  公开（公告）日：2017-08-17

  A condensed cyclic compound represented by Formula 1: Ar 1 -(L 1 ) a1 -Ar 2 Formula 1 wherein, in Formula 1, Ar 1 , Ar 2 , L 1 , and a1 are the same as described in the specification.

  由Formula 1表示的一种紧凑的环状化合物：Ar1-(L1)a1-Ar2 在Formula 1中，Ar1、Ar2、L1和a1与规范中描述的相同。
• CARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME
  申请人：SAMSUNG DISPLAY CO., LTD.

  公开号：US20170077419A1

  公开（公告）日：2017-03-16

  A carbazole-based compound and an organic light-emitting device including the same, wherein the carbazole-based compound is represented by Formula 1: In Formula 1, at least one selected from R 1 to R 9 may be a group represented by Formula 2, and rings A and B are each selected from a phenyl or a naphthyl. When at least one compound represented by Formula 1 is included as a green fluorescent host in an emission layer of an organic light-emitting device, the example OLEDs had improved efficiencies and longer lifespans compared to the organic light-emitting devices of the related art.

  一种基于咔唑的化合物和包括该化合物的有机发光器件，其中基于咔唑的化合物由式1表示：在式1中，R1至R9中至少有一个可是由式2表示的基团，环A和环B分别选自苯基或萘基。当至少一种由式1表示的化合物作为有机发光器件的发射层中的绿色荧光主体时，示例OLED相对于相关技术的有机发光器件具有改善的效率和更长的寿命。
• [EN] COMBINATION OF AN ERK INHIBITOR AND A KRAS INHIBITOR AND USES THEREOF<br/>[FR] COMBINAISON D'UN INHIBITEUR D'ERK ET D'UN INHIBITEUR DE KRAS ET SES UTILISATIONS
  申请人：SHANGHAI ANTENGENE CORPORATION LTD

  公开号：WO2022262797A1

  公开（公告）日：2022-12-22

  The present disclosure generally relates to the combination of an ERK inhibitor and a KRAS inhibitor, and use thereof.

  本公开涉及ERK抑制剂和KRAS抑制剂的组合及其使用。