2,2-dimethyl-8-bromochromene | 264264-94-0

• 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: 2,2-dimethyl-8-bromochromene
• 英文别名: 8-bromo-2,2-dimethyl-2H-1-benzopyran；8-bromo-2,2-dimethyl-2H-chromene；8-bromo-2,2-dimethylchromene
• CAS: 264264-94-0
• 化学式: C₁₁H₁₁BrO
• 分子量: 239.112
• InChiKey: BHBVJKGKZPTALF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-8-bromochromene 在 正丁基锂 、 四甲基乙二胺 、 溶剂黄146 作用下， 以 乙醚 、 正己烷 为溶剂， 生成 {4-[(4-Dimethylamino-phenyl)-(2,2-dimethyl-2H-chromen-8-yl)-methylene]-cyclohexa-2,5-dienylidene}-dimethyl-ammonium
  参考文献：
  名称：

  Clayton, Stephen E.; Guinot, Stephane G.R.; Hepworth, John D., Journal of the Chemical Society. Perkin Transactions 2 (2001), 2000, # 2, p. 263 - 269

  摘要：

  DOI：
• 作为产物：
  描述：

  8-Bromo-2,2-dimethyl-chroman-4-one 在 sodium tetrahydroborate 、 potassium hydrogensulfate 作用下， 以 甲醇 为溶剂， 100.0~125.0 ℃ 、1.33 kPa 条件下， 生成 2,2-dimethyl-8-bromochromene
  参考文献：
  名称：

  Clayton, Stephen E.; Guinot, Stephane G.R.; Hepworth, John D., Journal of the Chemical Society. Perkin Transactions 2 (2001), 2000, # 2, p. 263 - 269

  摘要：

  DOI：

文献信息

• [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia
  申请人：Clark D. Jerry

  公开号：US20050043309A1

  公开（公告）日：2005-02-24

  This invention relates to compounds of the formula 1 wherein G, D, A, Z, Q, X, Y, R 1 , and R 4 through R 7 are defined as in the specification, processes for preparing the same and intermediates used in making the same, and pharmaceutical compositions containing such compounds and their use in the treatment of central nervous system disorders and other disorders.

  这项发明涉及公式1的化合物 其中G、D、A、Z、Q、X、Y、R 1 和R 4 至R 7 的定义如规范中所述，制备这些化合物的方法以及用于制备这些化合物的中间体，以及含有这些化合物的药物组合物及其在治疗中枢神经系统疾病和其他疾病中的用途。
• Natural Product-like Combinatorial Libraries Based on Privileged Structures. 1. General Principles and Solid-Phase Synthesis of Benzopyrans
  作者：K. C. Nicolaou、J. A. Pfefferkorn、A. J. Roecker、G.-Q. Cao、S. Barluenga、H. J. Mitchell

  DOI：10.1021/ja002033k

  日期：2000.10.1

  report a novel strategy for the design and construction of natural and natural product-like libraries based on the principle of privileged structures, a term originally introduced to describe structural motifs capable of interacting with a variety of unrelated molecular targets. The identification of such privileged structures in natural products is discussed, and subsequently the 2,2-dimethylbenzopyran

  在此，我们报告了一种基于特权结构原理设计和构建天然和天然产物类库的新策略，该术语最初用于描述能够与各种不相关的分子靶标相互作用的结构基序。讨论了天然产物中此类特权结构的鉴定，随后选择 2,2-二甲基苯并吡喃部分作为通过该策略构建类天然产物库的初始模板。最初，采用独特的环加载策略开发了苯并吡喃基序的新型固相合成，该策略依赖于使用新的聚苯乙烯基溴化硒树脂。一旦确定了这些苯并吡喃的加载、加工和裂解，
• [EN] [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA<br/>[FR] [1,8]NAPHTYRIDIN-2-ONES ET COMPOSES APPARENTES DESTINES AU TRAITEMENT DE LA SCHIZOPHRENIE
  申请人：WARNER LAMBERT CO

  公开号：WO2005019215A1

  公开（公告）日：2005-03-03

  This invention relates to compounds of the Formula (1) wherein G, A, Z, Q, X, Y, and R1 and R2 are defined as in the specification, pharmaceutical compositions containing them and their use in the treatment of central nervous system and other disorders.

  本发明涉及式（1）的化合物，其中G，A，Z，Q，X，Y和R1和R2如规范中所定义，包含它们的制药组合物以及它们在治疗中枢神经系统和其他疾病中的应用。
• [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA
  申请人：Clark D. Jerry

  公开号：US20060287310A1

  公开（公告）日：2006-12-21

  This invention relates to compounds of the formula 1 wherein G, D, A, Z, Q, X, Y, R 1 , and R 4 through R 7 are defined as in the specification, processes for preparing the same and intermediates used in making the same, and pharmaceutical compositions containing such compounds and their use in the treatment of central nervous system disorders and other disorders.

  本发明涉及式1的化合物，其中G、D、A、Z、Q、X、Y、R1和R4至R7如规范中所定义，制备该化合物的过程以及用于制备该化合物的中间体，以及含有该化合物的制药组合物及其在治疗中枢神经系统疾病和其他疾病中的应用。
• Studies of Substituent Effect on Asymmetric Epoxidation of Chromenes by Chiral Dioxirane
  作者：O. Andrea Wong、Yian Shi

  DOI：10.1021/jo0604179

  日期：2006.5.1

  A series of 6- and 8-substituted chromenes has been investigated for asymmetric epoxidation using chiral ketone catalysts. Up to 93% ee was achieved. Higher ee's are obtained when substrates are substituted at the 6- position. The enhanced enantioselectivity is likely due to the beneficial interaction between the 6-substituent of the substrate and the N-aryl or alkyl group of the ketone catalyst.