6-bromochroman-2-carboxylic acid methyl ester | 1216183-10-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 6-bromochroman-2-carboxylic acid methyl ester
• 英文别名: Methyl 6-bromochroman-2-carboxylate；methyl 6-bromo-3,4-dihydro-2H-chromene-2-carboxylate
• CAS: 1216183-10-6
• 化学式: C₁₁H₁₁BrO₃
• 分子量: 271.111
• InChiKey: VWCNPBJEYCPANM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-bromochroman-2-carboxylic acid methyl ester 在 锂硼氢 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 23.5h， 生成 (6-Bromo-2-methyl-3,4-dihydrochromen-2-yl)methanol
  参考文献：
  名称：

  NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS

  摘要：

  本发明涉及新颖的Formula (I)中的取代吡啶哌唑酮衍生物，其中R1、R2、R3、R4、R5、L、Z和X的含义如权利要求中所定义。根据本发明的化合物可用作γ-分泌酶调节剂。本发明还涉及制备这种新型化合物的方法，包含上述化合物作为活性成分的药物组合物，以及将这些化合物用作药物的用途。

  公开号：

  US20180319797A1
• 作为产物：
  描述：

  Methyl 6-bromo-4-oxo-2,3-dihydrochromene-2-carboxylate 在 三乙基硅烷 、 三氟乙酸 作用下， 反应 6.0h， 生成 6-bromochroman-2-carboxylic acid methyl ester
  参考文献：
  名称：

  An efficient and practical enantiospecific synthesis of methyl chromanone- and chroman-2-carboxylates

  摘要：

  Chromanone-2-carboxylates and chroman-2-carboxylates are useful building blocks for the synthesis of a variety of bioactive compounds, such as repinotan, fidarestat, and nebivolol. An efficient and practical enantiospecific synthesis of chromanone-2-carboxylates and chroman-2-carboxylates has been accomplished using intramolecular Mitsunobu etherification of methyl (S)-2-hydroxy-4-oxo-4-(2'-hydroxy)phenylbutanoates derived from L-malic acid. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2015.07.006

文献信息

• [EN] NOVEL SUBSTITUTED PYRIDO-PIPERAZINONE DERIVATIVES AS GAMMA SECRETASE MODULATORS<br/>[FR] DÉRIVÉS SUBSTITUÉS DE PYRIDO-PIPÉRAZINONE D'UN NOUVEAU TYPE EN TANT QUE MODULATEURS DE LA GAMMA-SÉCRÉTASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2014111457A1

  公开（公告）日：2014-07-24

  The present invention is concerned with novel substituted pyrido-piperazinone derivatives of Formula (I) wherein R1, R2, R3, R4, R5, L, Z and X have the meaning defined in the claims. The compounds according to the present invention are useful as gamma secretase modulators. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及新颖的Formula (I)中R1、R2、R3、R4、R5、L、Z和X所定义含义的取代吡啶哌唑酮衍生物。根据本发明的化合物可用作γ-分泌酶调节剂。本发明还涉及制备这种新型化合物的方法，包含该化合物作为活性成分的药物组合物，以及将该化合物用作药物的用途。
• [EN] PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] DÉRIVÉS D'ACIDE PYRIDIN-3-YLE ACÉTIQUE UTILISÉS COMME INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：VIIV HEALTHCARE UK (NO 5) LTD

  公开号：WO2017195113A1

  公开（公告）日：2017-11-16

  Disclosed are compounds of Formula I, including pharmaceutically acceptable salts, pharmaceutical compositions comprising the compounds, methods for making the compounds and their use in inhibiting HIV integrase and treating those infected with HIV or AIDS. (I)

  公开了Formula I的化合物，包括药用可接受的盐，包含这些化合物的药物组合物，制备这些化合物的方法，以及它们在抑制HIV整合酶和治疗HIV或艾滋病感染者中的用途。
• Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators
  申请人：Janssen Pharmaceutica NV

  公开号：US10246454B2

  公开（公告）日：2019-04-02

  The present invention is concerned with novel substituted pyrido-piperazinone derivatives of Formula (I) wherein R1, R2, R3, R4, R5, L, Z and X have the meaning defined in the claims. The compounds according to the present invention are useful as gamma secretase modulators. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及式 (I) 的新型取代吡啶-哌嗪酮衍生物 其中 R1、R2、R3、R4、R5、L、Z 和 X 具有权利要求中定义的含义。根据本发明的化合物可用作γ 分泌酶调节剂。本发明进一步涉及制备这种新型化合物的工艺、包含所述化合物作为活性成分的药物组合物以及所述化合物作为药物的用途。
• Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication
  申请人：ViiV HEALTHCARE UK (No.5) LIMITED

  公开号：US10407410B2

  公开（公告）日：2019-09-10

  Disclosed are compounds of Formula I, including pharmaceutically acceptable salts, pharmaceutical compositions comprising the compounds, methods for making the compounds and their use in inhibiting HIV integrase and treating those infected with HIV or AIDS.

  公开了式 I 的化合物（包括药学上可接受的盐）、包含这些化合物的药物组合物、制造这些化合物的方法以及它们在抑制 HIV 整合酶和治疗 HIV 感染者或艾滋病患者中的用途。
• PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION
  申请人：ViiV Healthcare UK (No.5) Limited

  公开号：EP3455215A1

  公开（公告）日：2019-03-20