methyl 4-(3-(tert-butoxy)-3-oxopropyl)benzoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 4-(3-(tert-butoxy)-3-oxopropyl)benzoate
• 英文别名: Methyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
• 化学式: C₁₅H₂₀O₄
• 分子量: 264.321
• InChiKey: RNQPIONJIHUSRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  对溴苯甲酸甲酯 在 cobalt monobromide 、 4,4'-二甲氧基-2,2'-联吡啶 、 3-氯丙烯 、 三氟乙酸 、 lithium chloride 、 cobalt(II) chloride 、 锌 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 40.0 ℃ 、101.33 kPa 条件下， 反应 16.0h， 生成 苯甲酸甲酯 、 methyl 4-(3-(tert-butoxy)-3-oxopropyl)benzoate
  参考文献：
  名称：

  钴催化丙烯酸酯与芳基溴和二氧化碳的高区域选择性三组分芳基羧化

  摘要：

  钴催化的还原arylcarboxylation的吨丙烯酸正丁酯证明与亲电子芳基溴化物和二氧化碳，廉价氯化钴作为预催化剂和锌粉作为还原剂。该反应具有优异的区域选择性和官能团相容性，适用于一系列芳基溴化物。

  DOI：

  10.1002/cssc.202101963

文献信息

• ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS
  申请人：Fegley Glenn

  公开号：US20100022615A1

  公开（公告）日：2010-01-28

  Activated cytotoxic compounds are described for attachment to targeting molecules for the treatment of a mammalian disease condition which comprise, an activator, a spacer linker, a linker (e.g., self-immolative), and a cytotoxic drug selected from the group consisting of AMINO-SUBSTITUTED (E)-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES, AMINO-AND-HYDROXY SUBSTITUTED STYRYLSULFONANILIDES, and SUBSTITUTED PHENOXY- AND PHENYLTHIO-STYRYLSULFONE DERIVATIVES. Activated cytotoxic compound attached to a targeting molecule are described wherein the targeting molecule is selected from the group consisting essentially of an antibody, a receptor, a ligand, a cytokine, a hormone, and a signal transduction molecule. The invention is further directed to a method of treatment of disease conditions.

  本发明涉及一种激活的细胞毒性化合物，用于附着于靶向分子治疗哺乳动物疾病状况，包括激活剂、间隔连接剂、连接剂（例如自解性连接剂）和从AMINO-SUBSTITUTED（E）-2,6-DIALKOXYSTYRYL 4-SUBSTITUTED BENZYLSULFONES、AMINO-AND-HYDROXY SUBSTITUTED STYRYLSULFONANILIDES和SUBSTITUTED PHENOXY-AND PHENYLTHIO-STYRYLSULFONE DERIVATIVES组成的细胞毒性药物。本发明还涉及附着于靶向分子的激活的细胞毒性化合物，其中靶向分子从抗体、受体、配体、细胞因子、激素和信号转导分子等组成的群体中选择。本发明进一步涉及一种治疗疾病状况的方法。
• NEW BRADYKININ B1 ANTAGONISTS
  申请人：Madden James

  公开号：US20110201589A1

  公开（公告）日：2011-08-18

  The invention relates to compounds of formula (I) wherein R 1 , R 1a , R 1b , R 2 , R 3 and X, X 1 , X 2 , X 3 have the meaning as cited in the description and the claims. Said compounds are useful as Bradykinin B1 antagonists. The invention also relates to pharmaceutical compositions, the preparation of such compounds as well as the production and use as medicament.

  本发明涉及式(I)的化合物，其中R1、R1a、R1b、R2、R3和X、X1、X2、X3的含义如描述和权利要求中所述。所述化合物可用作Bradykinin B1受体拮抗剂。本发明还涉及制备这种化合物的药物组合物，以及作为药物的生产和使用。
• Triazines And Related Compounds Having Antiviral Activity, Compositions And Methods Thereof
  申请人：Han Amy Qi

  公开号：US20120009151A1

  公开（公告）日：2012-01-12

  Disclosed herein are novel triazines and related compounds, the synthesis thereof, and compositions, including pharmaceutical compositions, comprising the novel triazines and related compounds. Such novel triazines and related compounds function to inhibit or block entry of viruses of the Flaviviridae family, including Hepatitis C virus (HCV), into cells that are susceptible to virus infection. These compounds are useful for the treatment, therapy and/or prophylaxis of viral diseases and infection, including HCV infection.

  本文披露了新型三嗪及其相关化合物，其合成方法以及包含新型三嗪和相关化合物的组合物，包括药物组合物。这些新型三嗪和相关化合物的功能是抑制或阻止易感染病毒的细胞进入黄病毒科病毒，包括丙型肝炎病毒（HCV）。这些化合物对于治疗、治疗和/或预防病毒性疾病和感染，包括HCV感染，是有用的。
• Processes for Making Compounds Useful as Inhibitors of ATR Kinase
  申请人：Charrier Jean-Damien

  公开号：US20130184292A1

  公开（公告）日：2013-07-18

  The present invention relates to processes and intermediates for preparing compounds useful as inhibitors of ATR kinase, such as aminopyrazine-isoxazole derivatives and related molecules. The present invention also relates to compounds useful as inhibitors of ATR protein kinase. The invention relates to pharmaceutically acceptable compositions comprising the compounds of this invention; methods of treating of various diseases, disorders, and conditions using the compounds of this invention; processes for preparing the compounds of this invention; intermediates for the preparation of the compounds of this invention; and solid forms of the compounds of this invention. The compounds of this invention have formula I or II: wherein the variables are as defined herein.

  本发明涉及用于制备ATR激酶抑制剂的过程和中间体，例如氨基吡唑-异恶唑衍生物和相关分子。本发明还涉及用于抑制ATR蛋白激酶的化合物。本发明涉及包含本发明化合物的药学上可接受的组合物；使用本发明化合物治疗各种疾病、障碍和病况的方法；制备本发明化合物的过程；制备本发明化合物的中间体；以及本发明化合物的固态形式。本发明化合物具有公式I或II：其中变量如本文所定义。
• BRADYKININ B1 ANTAGONISTS
  申请人：EVOTEC AG

  公开号：US20140073627A1

  公开（公告）日：2014-03-13

  The invention relates to compounds of formula (I) wherein R 1 , R 1a , R 1b , R 2 , R 3 and X, X 1 , X 2 , X 3 have the meaning as cited in the description and the claims. Said compounds are useful as Bradykinin B1 antagonists. The invention also relates to pharmaceutical compositions, the preparation of such compounds as well as the production and use as medicament.

  本发明涉及公式(I)的化合物，其中R1、R1a、R1b、R2、R3和X、X1、X2、X3的含义如描述和权利要求中所述。所述化合物可用作Bradykinin B1拮抗剂。本发明还涉及制药组合物，制备此类化合物以及作为药物的生产和使用。