2-Methylbenzofuro<3,2-d>pyrimidine | 76288-80-7

• 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-Methylbenzofuro<3,2-d>pyrimidine
• 英文别名: 2-methylbenzofuro[3,2-d]pyrimidine；2-Methyl-[1]benzofuro[3,2-d]pyrimidine
• CAS: 76288-80-7
• 化学式: C₁₁H₈N₂O
• 分子量: 184.197
• InChiKey: JOOJUIKVFKMERS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氯-2-甲基苯并呋喃并[3,2-d]嘧啶 在 吡啶 、 sodium hydroxide 、 一水合肼 作用下， 以 甲醇 、 乙二醇 为溶剂， 反应 7.0h， 生成 2-Methylbenzofuro<3,2-d>pyrimidine
  参考文献：
  名称：

  Mahajan, S. B.; Sangapure, S. S.; Agasimundin, Y. S., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1980, vol. 19, # 7, p. 596 - 598

  摘要：

  DOI：

文献信息

• Organic Electroluminescent Materials and Devices
  申请人：Universal Display Corporation

  公开号：US20200274081A1

  公开（公告）日：2020-08-27

  A compound of Formula I wherein: ring B is a 5-membered heterocyclic ring, or a 6-membered carbocyclic ring; each of X 1 and X 2 is independently C, CR, or N, with at least one of them being C; each of X 3 -X 11 is independently C, CR, or N, with at least one of them being N, and two adjacent of X 3 -X 7 are carbon-fused to the shown moiety through the linkage indicated by the two squiggly lines; Y is selected from the group consisting of O, S, Se, NR′, CR′R″, and SiR′R″; each of R A and R B independently represents zero, mono, or up to a maximum allowed substitution to its associated ring; each of R, R′, R″, R A , and R B is independently a hydrogen or a substituent selected from the group consisting of —SiR 1 R 2 R 3 or —GeR 1 R 2 R 3 , deuterium, halogen, alkyl, cycloalkyl, heteroalkyl, heterocycloalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, boryl, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, aryl, heteroaryl, acyl, carboxylic acid, ether, ester, nitrile, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof, with at least one of R A or R B comprising —SiR 1 R 2 R 3 or —GeR 1 R 2 R 3 ; each of R 1 , R 2 , and R 3 is independently selected from the group consisting of alkyl, aryl group, heteroaryl group, and combinations thereof; and any two substituents are optionally joined or fused to form a ring where chemically feasible.

  根据公式I的化合物 其中： 环B是5元的杂环，或者是6元的碳环； X1和X2各自独立为C、CR或N，其中至少有一个是C； X3-X11各自独立为C、CR或N，其中至少有一个是N，并且X3-X7的两个相邻碳与所示基团通过波浪线指示的连接方式碳融合； Y选自由O、S、Se、NR'、CR'R"和SiR'R"组成的组； RA和RB各自独立代表其相关环允许的最大取代数，零、单或至多； R、R'、R"、RA和RB各自独立为氢或选自—SiR1R2R3或—GeR1R2R3，氘，卤素，烷基，环烷基，杂烷基，杂环烷基，芳烷基，烷氧基，芳氧基，氨基，硅基，硼基，烯基，环烯基，杂烯基，炔基，芳基，杂芳基，酰基，羧酸，醚，酯，腈，异腈，硫anyl，亚磺酰基，磺酰基，磷基和它们的组合的取代基，其中至少一个RA或RB包含—SiR1R2R3或—GeR1R2R3； R1、R2和R3各自独立选自烷基，芳基组，杂芳基组和它们的组合；并且 任意两个取代基可选择性连接或融合成环，在化学上可行的话。
• Copper(I)-Mediated Cascade Reactions: An Efficient Approach to the Synthesis of Functionalized Benzofuro[3,2-<i>d</i>]pyrimidines
  作者：Bo Chao、Shijun Lin、Qingdong Ma、Dong Lu、Youhong Hu

  DOI：10.1021/ol300822a

  日期：2012.5.4

  A novel cascade reaction was developed for the synthesis of diverse members of a series of benzofuro[3,2-d]pyrimidine derivatives. The process utilizes readily prepared 3-chlorochromenones and various commercially available amidines and their analogues as starting materials. This tandem reaction is promoted by using a simple copper(I) reagent and involves a chemoselective Michael addition–heterocy

  开发了一种新颖的级联反应，用于合成一系列苯并呋喃[3,2- d ]嘧啶衍生物的不同成员。该方法利用容易制备的3-氯色酮和各种市售的am及其类似物作为起始原料。这种串联反应是通过使用简单的铜（I）试剂促进的，涉及化学选择性迈克尔加成-杂环化-分子内环化序列。
• LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE
  申请人：Semiconductor Energy Laboratory Co., Ltd.

  公开号：US20170040553A1

  公开（公告）日：2017-02-09

  To provide a light-emitting element with high emission efficiency and low driving voltage. The light-emitting element includes a guest material and a host material. A LUMO level of the host material is higher than a LUMO level of the host material, and a HOMO level of the guest material is lower than a HOMO level of the host material. The guest material has a function of converting triplet excitation energy into light emission. The difference between a singlet excitation energy level and a triplet excitation energy level of the host material is greater than 0 eV and less than or equal to 0.2 eV. The energy difference between the LUMO level and the HOMO level of the host material is larger than or equal to light emission energy of the guest material.

  为提供具有高发射效率和低驱动电压的发光元件。该发光元件包括客体材料和宿主材料。宿主材料的LUMO能级高于客体材料的LUMO能级，客体材料的HOMO能级低于宿主材料的HOMO能级。客体材料具有将三重激发能量转化为光发射的功能。宿主材料的单态激发能级和三重激发能级之间的差异大于0 eV且小于或等于0.2 eV。宿主材料的LUMO能级和HOMO能级之间的能量差大于或等于客体材料的光发射能量。
• Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Apparatus, and Lighting Device
  申请人：Semiconductor Energy Laboratory Co., Ltd.

  公开号：US20200216428A1

  公开（公告）日：2020-07-09

  A novel compound is provided. In addition, a light-emitting element with high emission efficiency and a long lifetime is provided. An organic compound represented by General Formula (G0), including a dibenzocarbazole skeleton and two amine skeletons. In General Formula (G0), A represents a substituted or unsubstituted dibenzocarbazole skeleton. The dibenzocarbazole skeleton and the amine skeletons may be bonded to each other through or not through an arylene group. In addition, a light-emitting element including the compound is provided.

  提供了一种新型化合物。此外，提供了一种具有高发射效率和长寿命的发光元件。一种由通用公式（G0）表示的有机化合物，包括一个二苯并咔唑骨架和两个胺骨架。在通用公式（G0）中，A代表一个取代或未取代的二苯并咔唑骨架。二苯并咔唑骨架和胺骨架可以通过芳基或非芳基团相互结合或不相互结合。此外，提供了一种包含该化合物的发光元件。
• Light-Emitting Element, Display Device, Electronic Device, and Lighting Device
  申请人：Semiconductor Energy Laboratory Co., Ltd.

  公开号：US20170092889A1

  公开（公告）日：2017-03-30

  To provide a light-emitting element with high emission efficiency and low driving voltage. The light-emitting element includes a guest material and a host material. A LUMO level of the guest material is lower than a LUMO level of the host material. An energy difference between the LUMO level and a HOMO level of the guest material is larger than an energy difference between the LUMO level and a HOMO level of the host material. The guest material has a function of converting triplet excitation energy into light emission. An energy difference between the LUMO level of the guest material and the HOMO level of the host material is larger than or equal to energy of light emission of the guest material.

  提供一种具有高发射效率和低驱动电压的发光元件。该发光元件包括客体材料和宿主材料。客体材料的LUMO能级低于宿主材料的LUMO能级。客体材料的LUMO能级和HOMO能级之间的能量差大于宿主材料的LUMO能级和HOMO能级之间的能量差。客体材料具有将三重激发能转化为光发射的功能。客体材料的LUMO能级和宿主材料的HOMO能级之间的能量差大于或等于客体材料的光发射能量。