ethyl 6-bromo-1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate | 1350663-01-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: ethyl 6-bromo-1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
• 英文别名: ethyl 6-bromo-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
• CAS: 1350663-01-2
• 化学式: C₁₃H₁₃BrO₃
• 分子量: 297.148
• InChiKey: VGKWZEIKYBNXMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 6-bromo-1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate 在 tributylsilane 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 28.0h， 生成 ethyl 6-cyano-1,2,3,4-tetrahydronaphthalene-2-carboxylate
  参考文献：
  名称：

  PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED

  摘要：

  Disclosed herein are small molecule modulators of pannexin. Also disclosed herein are methods of treating disorders associated with exacerbated activation of ATP- induced signal pathways mediated by pannexin, such as pain and opioid addiction, by administering small molecule modulators of pannexin.

  公开号：

  WO2024049929A2
• 作为产物：
  描述：

  氰基甲酸乙酯 、 4-溴-2-甲基苯甲醛 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 以81.8 %的产率得到ethyl 6-bromo-1-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
  参考文献：
  名称：

  PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED

  摘要：

  Disclosed herein are small molecule modulators of pannexin. Also disclosed herein are methods of treating disorders associated with exacerbated activation of ATP- induced signal pathways mediated by pannexin, such as pain and opioid addiction, by administering small molecule modulators of pannexin.

  公开号：

  WO2024049929A2

文献信息

• [EN] HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS<br/>[FR] MODULATEURS DU RÉCEPTEUR HORMONAL POUR LE TRAITEMENT D'ÉTATS ET DE TROUBLES MÉTABOLIQUES
  申请人：ARDELYX INC

  公开号：WO2018039386A1

  公开（公告）日：2018-03-01

  The invention relates to activators of FXR useful in the treatment of autoimmune disorders, liver disease, intestinal disease, kidney disease, cancer, and other diseases in which FXR plays a role, having the Formula (I): (I), wherein L1, A, X1, X2, R1, R2, and R3 are described herein.

  这项发明涉及FXR的激活剂，可用于治疗自身免疫性疾病、肝病、肠道疾病、肾脏疾病、癌症以及FXR在其中发挥作用的其他疾病，其化学式为(I)：(I)，其中L1、A、X1、X2、R1、R2和R3如本文所述。
• Copper-Mediated Decarboxylative Coupling between Arylacetic Acids and 1,3-Dicarbonyl Compounds
  作者：Yinrong Wu、Kangmei Wen、Jiewen Chen、Jie Shi、Xingang Yao、Xiaodong Tang

  DOI：10.1021/acs.orglett.1c02897

  日期：2021.10.15

  A copper-mediated decarboxylative coupling reaction between arylacetic acids and 1,3-dicarbonyl compounds was described. Significantly, methanocycloocta[b]indoles were also obtained by sequential intramolecular dehydrocyclization process in some cases. This protocol featured a broad substrate scope, simple operations, and good yields. Moreover, the products exhibited potent antiproliferative activity

  描述了芳基乙酸和 1,3-二羰基化合物之间铜介导的脱羧偶联反应。值得注意的是，在某些情况下，还可以通过顺序分子内脱氢环化过程获得甲氧基环八[ b ]吲哚。该协议具有广泛的基板范围、简单的操作和良好的产量。此外，通过 MTT 测定，这些产品对人类癌细胞系表现出有效的抗增殖活性。
• Iridium-Catalyzed Stereoselective Allylic Alkylation Reactions with Crotyl Chloride
  作者：J. Caleb Hethcox、Samantha E. Shockley、Brian M. Stoltz

  DOI：10.1002/anie.201609960

  日期：2016.12.23

  regioselective iridium‐catalyzed allylic alkylation reaction of prochiral enolates to form an all‐carbon quaternary stereogenic center with an aliphatic‐substituted allylic electrophile is disclosed. The reaction proceeds with good to excellent selectivity with a range of substituted tetralone‐derived nucleophiles furnishing products bearing a newly formed vicinal tertiary and all‐carbon quaternary stereodyad

  公开了前手性烯醇酸酯的对映体，非对映体和区域选择性铱催化的烯丙基烷基化反应，以形成全碳四元立体立体中心与脂族取代的烯丙基亲电试剂的发展。通过一系列取代的四氢萘酮亲核试剂的反应，具有良好的选择性，并提供了新形成的邻级叔和全碳四元立体定向产物。通过多种合成的多种产品转化，进一步证明了该协议的实用性。
• PROCESS FOR THE PREPARATION OF HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS
  申请人：Ardelyx, Inc.

  公开号：EP3954684A1

  公开（公告）日：2022-02-16

  The invention relates to processes for the preparation of activators of FXR useful in the treatment of autoimmune disorders, liver disease, intestinal disease, kidney disease, cancer, and other diseases in which FXR plays a role, having the Formula (I): (I), wherein L1, A, X1, X2, R1, R2, and R3 are described herein.

  本发明涉及用于治疗自身免疫性疾病、肝脏疾病、肠道疾病、肾脏疾病、癌症和其他 FXR 起作用的疾病的 FXR 激活剂的制备工艺，其具有式 (I)：(I)，其中 L1、A、X1、X2、R1、R2 和 R3 如本文所述。
• Hormone receptor modulators for treating metabolic conditions and disorders
  申请人：ARDELYX, INC.

  公开号：US10793568B2

  公开（公告）日：2020-10-06

  The invention relates to activators of FXR useful in the treatment of autoimmune disorders, liver disease, intestinal disease, kidney disease, cancer, and other diseases in which FXR plays a role, having the Formula (I): (I), wherein L1, A, X1, X2, R1, R2, and R3 are described herein.

  本发明涉及用于治疗自身免疫性疾病、肝脏疾病、肠道疾病、肾脏疾病、癌症和其他 FXR 起作用的疾病的 FXR 激活剂，其具有式 (I)：(I)，其中 L1、A、X1、X2、R1、R2 和 R3 如本文所述。