2,4,8-trichloro-[1]benzofuro[3,2-d]pyrimidine | 160199-00-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2,4,8-trichloro-[1]benzofuro[3,2-d]pyrimidine
• 英文别名: 2,4,8-Trichlorobenzofuro[3,2-D]pyrimidine
• CAS: 160199-00-8
• 化学式: C₁₀H₃Cl₃N₂O
• 分子量: 273.506
• InChiKey: HLHAHILPKRWJRV-UHFFFAOYSA-N

物化性质

• 密度：
  1.680±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,4,8-trichloro-[1]benzofuro[3,2-d]pyrimidine 在 吡啶 作用下， 以 乙醇 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Tricyclic aminopyrimidine histamine H4 receptor antagonists

  摘要：

  This report discloses the development of a series of tricyclic histamine H-4 receptor antagonists. Starting with a low nanomolar benzofuranopyrimidine HTS hit devoid of pharmaceutically acceptable properties, we navigated issues with metabolism and solubility to furnish a potent, stable and water soluble tricyclic histamine H-4 receptor antagonist with desirable physiochemical parameters which demonstrated efficacy a mouse ova model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.014
• 作为产物：
  描述：

  5-chloro-3-ethoxycarbonylamino-benzofuran-2-carboxylic acid ethyl ester 在 N,N-二乙基苯胺 、 肼 、 三氯氧磷 作用下， 以 乙醇 、 三氯乙烷 为溶剂， 生成 2,4,8-trichloro-[1]benzofuro[3,2-d]pyrimidine
  参考文献：
  名称：

  Tricyclic aminopyrimidine histamine H4 receptor antagonists

  摘要：

  This report discloses the development of a series of tricyclic histamine H-4 receptor antagonists. Starting with a low nanomolar benzofuranopyrimidine HTS hit devoid of pharmaceutically acceptable properties, we navigated issues with metabolism and solubility to furnish a potent, stable and water soluble tricyclic histamine H-4 receptor antagonist with desirable physiochemical parameters which demonstrated efficacy a mouse ova model. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.014

文献信息

• Benzofuro- and benzothienopyrimidine modulators of the histamine H4 receptor
  申请人：Chavez Frank

  公开号：US20080015200A1

  公开（公告）日：2008-01-17

  Benzofuro- and benzothienopyrimidine compounds are described, which are useful as H 4 receptor modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by H 4 receptor activity, such as allergy, asthma, autoimmune diseases, and pruritis.

  描述了苯并呋喃和苯并噻吩嘧啶化合物，这些化合物可用作H4受体调节剂。这类化合物可用于制备药物组合物，并用于治疗由H4受体活性介导的疾病状态、紊乱和病况，如过敏、哮喘、自身免疫疾病和瘙痒症。
• Facile assembly of fused benzofuro-heterocycles
  申请人：Fitzgerald Anne E.

  公开号：US20090076268A1

  公开（公告）日：2009-03-19

  This invention concerns the synthesis of polycyclic structural components of pharmacological compounds, including the synthesis of fused benzofuro-heterocycles, through selective palladium-catalyzed cross-coupling and intramolecular cyclization.

  这项发明涉及药物化合物的多环结构组分的合成，包括通过选择性钯催化的交叉偶联和分子内环化合成融合苯并呋喃杂环化合物的合成。
• COMPOUNDS WITH DIAZADIBENZOFURANE OR DIAZADIBENZOTHIOPHENE STRUCTURES
  申请人：Merck Patent GmbH

  公开号：US20200024282A1

  公开（公告）日：2020-01-23

  The present invention describes diazadibenzofuran or diazadibenzothiophene derivatives substituted by carbazole, fluorene, phenanthrene, benzofuran and/or benzothiophene groups, especially for use in electronic devices. The invention further relates to a process for preparing the compounds of the invention and to electronic devices comprising these.

  本发明描述了由咔唑、芴、菲、菲、苯并呋喃和/或苯并噻吩基团取代的二氮代二苯并呋喃或二氮代二苯并噻吩衍生物，特别用于电子器件。该发明还涉及制备本发明化合物的方法以及包含这些化合物的电子器件。
• [EN] ORGANIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE<br/>[FR] COMPOSÉ ORGANIQUE, ÉLÉMENT ÉLECTROLUMINESCENT, DISPOSITIF ÉLECTROLUMINESCENT, DISPOSITIF ÉLECTRONIQUE, ET DISPOSITIF D'ÉCLAIRAGE
  申请人：SEMICONDUCTOR ENERGY LAB

  公开号：WO2018234932A1

  公开（公告）日：2018-12-27

  A novel compound is provided. A light-emitting element with high emission efficiency and a long lifetime is provided. The compound is an organic compound that includes a benzofuro[3,2-d]pyrimidine or benzothieno[3,2-d]pyrimidine skeleton (General Formula (G0)). The 2-position of the benzofuro[3,2-d]pyrimidine or benzothieno[3,2-d]pyrimidine skeleton has a substituent and the 6- to 9-positions of the skeleton have at least one substituent. Any one of the substituents bonded to the 6- to 9-positions is bonded to the benzofuro[3,2-d]pyrimidine or benzothieno[3,2-d]pyrimidine skeleton via a phenylene group. A light-emitting element including the compound is provided.

  提供了一种新化合物。该化合物是一种有机化合物，包括苯并呋喃[3,2-d]嘧啶或苯并噻吩[3,2-d]嘧啶骨架（通式（G0））。苯并呋喃[3,2-d]嘧啶或苯并噻吩[3,2-d]嘧啶骨架的2位有取代基，骨架的6-9位至少有一个取代基。6-9位上的任何一个取代基通过苯基与苯并呋喃[3,2-d]嘧啶或苯并噻吩[3,2-d]嘧啶骨架相连。提供了一种包括该化合物的发光元件，其具有高发射效率和长寿命。
• Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device
  申请人：Semiconductor Energy Laboratory Co., Ltd.

  公开号：US20210206775A1

  公开（公告）日：2021-07-08

  Provided is a novel organic compound, a benzofuropyrimidine derivative or a benzothienopyrimidine derivative, which is an organic compound represented by General Formula (G1) below. In General Formula (G1), Q represents oxygen or sulfur. Furthermore, A is a group having 12 to 100 carbon atoms in total and includes one or more of a benzene ring, a naphthalene ring, a fluorene ring, a phenanthrene ring, a triphenylene ring, a heteroaromatic ring including a dibenzothiophene ring, a heteroaromatic ring including a dibenzofuran ring, a heteroaromatic ring including a carbazole ring, a benzimidazole ring, and a triphenylamine structure.

  提供了一种新型有机化合物，它是苯并呋喃嘧啶衍生物或苯并噻吩嘧啶衍生物，是由下列通式（G1）表示的有机化合物。 在通式（G1）中，Q代表氧或硫。此外，A是一种总共具有12至100个碳原子的基团，其中包括一个或多个苯环，萘环，芴环，菲环，三苯基烯环，一个含有二苯并硫杂环的杂环，一个含有二苯并呋喃环的杂环，一个含有咔唑环，苯并咪唑环和三苯胺结构的杂环。