(5-(甲氧基甲氧基)-2-甲基苯基)硼酸 | 341006-18-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: (5-(甲氧基甲氧基)-2-甲基苯基)硼酸
• 英文名称: (5-(methoxymethoxy)-2-methylphenyl)boronic acid
• 英文别名: 4-methoxymethoxy-1-methylbenzene-2-boronic acid；5-(Methoxymethoxy)-2-methylphenylboronic acid；[5-(methoxymethoxy)-2-methylphenyl]boronic acid
• CAS: 341006-18-6
• 化学式: C₉H₁₃BO₄
• 分子量: 196.011
• InChiKey: KXBXFELZYMVBDD-UHFFFAOYSA-N

物化性质

• 沸点：
  372.7±52.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.34
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (5-(甲氧基甲氧基)-2-甲基苯基)硼酸 在 四(三苯基膦)钯 、 甲烷磺酸(2-二环己基膦基-2',4',6'-三-异丙基-1,1'-联苯基)(2'-氨基-1,1'-联苯-2-基)钯(II) 、 sodium carbonate 、 caesium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 7.5h， 生成 5-amino-2-(4,4-difluorocyclohex-1-en-1-yl)-6-(5-(methoxymethoxy)-2-methylphenyl)pyrimidine-4-carboxamide
  参考文献：
  名称：

  [EN] HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME
  [FR] HÉTÉROARÈNES, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  本文公开了可用于治疗有需要的受试者的化合物及其药学上可接受的盐类。本文公开的化合物可以是酪氨酸和苏氨酸特异性 cdc2 抑制激酶（Myt1）的抑制剂。还公开了含有这些化合物或其药学上可接受的盐的药物组合物及其制备和使用方法。

  公开号：

  WO2023220831A1

文献信息

• Vitamin D analogues
  申请人：Galderma Research & Development, S.N.C.

  公开号：US06831106B1

  公开（公告）日：2004-12-14

  The present invention relates to novel triaromatic compounds having the general formula (I): as well as to a method for preparing them and to their use in pharmaceutical compositions intended for use in human or veterinary medicine (in dermatology, in carcinology and in the field of autoimmune diseases and that of organ or tissue transplants in particular), or alternatively in cosmetic compositions.

  本发明涉及具有一般式(I)的新型三芳基化合物，以及制备它们的方法和它们在制备用于人类或兽医药学（特别是在皮肤病学、癌症学、自身免疫疾病和器官或组织移植领域）的药物组合物或化妆品组合物中的应用。
• Palladium-Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic Biaryls: Axial-to-Central Chirality Transfer
  作者：Liu Yang、Huayu Zheng、Lei Luo、Jiang Nan、Jingjing Liu、Yaoyu Wang、Xinjun Luan

  DOI：10.1021/jacs.5b01285

  日期：2015.4.22

  The first dynamic kinetic asymmetric transformation of racemic biaryl substrates on the basis of axial-to-central chirality transfer has been realized. Chiral Pd-NHC complexes were found to catalyze the dynamic kinetic asymmetric spiroannulation of 4-(2-bromoaryl)-naphthalen-1-ols (or 2'-bromo-[1,1'-biphenyl]-4-ols) with internal alkynes, affording a series of enantioenriched spirocyclic products bearing an all-carbon quaternary stereocenter in good yields (up to 95%) with excellent enantioselectivities (up to 97% ee).
• QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME
  申请人：Repare Therapeutics Inc.

  公开号：US20230348456A1

  公开（公告）日：2023-11-02

  Disclosed are compounds and pharmaceutically acceptable salts thereof that may be used in the treatment of subjects in need thereof. The compounds disclosed herein may be inhibitors of tyrosine and threonine-specific cdc2-inhibitory kinase (Myt1). Also disclosed are pharmaceutical compositions containing the compounds or pharmaceutically acceptable salts thereof and methods of their preparation and use.
• COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE
  申请人：Repare Therapeutics Inc.

  公开号：US20230122909A1

  公开（公告）日：2023-04-20

  Disclosed are compounds and pharmaceutically acceptable salts thereof that may be used in the treatment of subjects in need thereof. The compounds disclosed herein may be inhibitors of tyrosine and threonine-specific cdc2-inhibitory kinase (Myt1). Also disclosed are pharmaceutical compositions containing the compounds or pharmaceutically acceptable salts thereof and methods of their preparation and use.
• [EN] HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME<br/>[FR] HÉTÉROARÈNES, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET LEURS PROCÉDÉS D'UTILISATION
  申请人：REPARE THERAPEUTICS INC

  公开号：WO2023220831A1

  公开（公告）日：2023-11-23

  Disclosed are compounds and pharmaceutically acceptable salts thereof that may be used in the treatment of subjects in need thereof. The compounds disclosed herein may be inhibitors of tyrosine and threonine-specific cdc2-inhibitory kinase (Myt1). Also disclosed are pharmaceutical compositions containing the compounds or pharmaceutically acceptable salts thereof and methods of their preparation and use.

  本文公开了可用于治疗有需要的受试者的化合物及其药学上可接受的盐类。本文公开的化合物可以是酪氨酸和苏氨酸特异性 cdc2 抑制激酶（Myt1）的抑制剂。还公开了含有这些化合物或其药学上可接受的盐的药物组合物及其制备和使用方法。