5H-吡咯并[2,3-d]嘧啶 | 18549-65-0

• 物质功能分类: 医药中间体 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 中文名称: 5H-吡咯并[2,3-d]嘧啶
• 中文别名: 5H-吡咯并[2,3-D]嘧啶
• 英文名称: 5H-pyrrolo[2,3-d]pyrimidine
• CAS: 18549-65-0
• 化学式: C₆H₅N₃
• 分子量: 119.12
• InChiKey: NUTIPMCDNFPBQT-UHFFFAOYSA-N

物化性质

• 熔点：
  131-132°C
• 沸点：
  304.5±42.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)
• 溶解度：
  溶于氯仿、二氯甲烷、DMSO、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  38.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

文献信息

• PHOSPHORESCENT METAL COMPLEX COMPOUND, METHOD FOR THE PRODUCTION THEREOF AND RADIATION EMITTING STRUCTURAL ELEMENT
  申请人：De Cola Luisa

  公开号：US20120169213A1

  公开（公告）日：2012-07-05

  A phosphorescent metal complex may include at least one metallic central atom M; and at least one ligand coordinated by the metallic central atom, wherein one ligand is bidentate with two uncharged coordination sites and comprises at least one carbene unit coordinated directly to the metal atom.

  一种磷光金属配合物可能包括至少一个金属中心原子M；以及至少一个由金属中心原子配位的配体，其中一个配体是双齿的，具有两个未带电的配位位点，并且包括至少一个卡宾基直接配位到金属原子。
• POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC BODY, AND METHOD FOR PRODUCING POLYMERIZABLE COMPOUND
  申请人：ZEON CORPORATION

  公开号：US20150175564A1

  公开（公告）日：2015-06-25

  A polymerizable compound has a practical low melting point, excellent solubility in a general-purpose solvent, and can produce an optical film at low cost, exhibits low reflected luminance, and achieves uniform conversion of polarized light over a wide wavelength band, an optically anisotropic article. A carbonyl compound is useful as a raw material for producing the polymerizable compound. (In the formula (I), Y 1 to Y 8 represent —C(═O)—O—, G 1 and G 2 represent a C 1-20 divalent linear aliphatic group, Z 1 and Z 2 represent a C 2-10 alkenyl group that is unsubstituted, or substituted with a halogen atom, A x represents a C 2-30 organic group with at least one aromatic ring, A y represents a hydrogen atom or C 1-20 alkyl group, A 1 represents a trivalent aromatic group, A 2 and A 3 represent a C 3-30 divalent alicyclic hydrocarbon group, A 4 and A 5 represent a C 6-30 divalent aromatic group or the like, and Q 1 represents a hydrogen atom.)

  一种可聚合的化合物具有实用的低熔点、在通用溶剂中良好的溶解性，并且可以以低成本制备光学薄膜，表现出较低的反射亮度，并且在宽波长范围内实现偏振光的均匀转换，是一种光学各向异性材料。一种羰基化合物可作为制备可聚合化合物的原料。（在式（I）中，Y1至Y8代表—C(═O)—O—，G1和G2代表C1-20二价线性脂肪族基团，Z1和Z2代表未取代或取代有卤素原子的C2-10烯基基团，Ax代表至少具有一个芳香环的C2-30有机基团，Ay代表氢原子或C1-20烷基基团，A1代表三价芳香族基团，A2和A3代表C3-30二价脂环碳氢基团，A4和A5代表C6-30二价芳香族基团或类似物，Q1代表氢原子。）
• MIXTURE OF POLYMERIZABLE COMPOUND AND METHOD OF PRODUCING THE SAME
  申请人：ZEON CORPORATION

  公开号：US20180099921A1

  公开（公告）日：2018-04-12

  Disclosed is a mixture containing compound (I) and polymerizable compound (II) wherein compound (I) accounts for 50 mol % or more of the entire mixture and 1,4-cyclohexanedicarboxylic acid accounts for less than 5 mol % of the entire mixture; a method of producing the mixture which includes reacting in a water-immiscible organic solvent 1,4-cyclohexanedicarboxylic acid dichloride with compound (IV) in the presence of a base, and washing the obtained reaction solution with a weakly acidic buffer solution; etc. The disclosure provides mixtures useful for low-cost production of polymerizable compounds which have low melting points suitable for practical use, show superior solubility to general-purpose solvents, can be produced at low costs, and allow for provision of optical films capable of uniform polarized light conversion over a wide wavelength range, and methods of producing the mixtures. where A represents hydrogen, methyl group or chlorine, and n represents an integer of 1 to 20.

  本公开揭示了一种含有化合物（I）和可聚合化合物（II）的混合物，其中化合物（I）占整个混合物的50摩尔％或更多，1,4-环己二羧酸占整个混合物的5摩尔％以下；一种生产该混合物的方法，包括在不溶于水的有机溶剂中，在碱的存在下将1,4-环己二羧酸二氯化物与化合物（IV）反应，并用弱酸性缓冲溶液洗涤所得的反应溶液等。该公开提供了用于低成本生产可聚合化合物的混合物，这些化合物具有适合实际使用的低熔点，对一般溶剂具有优越的溶解性，可以以低成本生产，并且可以提供能够在宽波长范围内实现均匀偏振光转换的光学薄膜，以及生产这些混合物的方法。其中A代表氢、甲基或氯，n代表1至20的整数。
• COMBINATIONS OF MEK INHIBITORS AND RAF KINASE INHIBITORS AND USES THEREOF
  申请人：MINER Jeffrey

  公开号：US20120136030A1

  公开（公告）日：2012-05-31

  This invention concerns combinations of inhibitors of MEK, Raf protein kinases, and other kinases including VEGFR1-3 and PDGFR-β. This invention also concerns pharmaceutical compositions comprising the compounds described herein and methods of use of the compounds and compositions described herein, including the use in the treatment and/or prevention of cancer and other hyperproliferative disorders.

  这项发明涉及MEK、Raf蛋白激酶以及其他激酶（包括VEGFR1-3和PDGFR-β）的抑制剂的组合。这项发明还涉及包括本文所描述的化合物的药物组合物，以及所述化合物和组合物的使用方法，包括用于治疗和/或预防癌症和其他过度增殖性疾病的用途。
• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Plexxikon Inc.

  公开号：US20170157120A1

  公开（公告）日：2017-06-08

  Compounds active on protein kinases are described, as well as methods of making and using such compounds to treat diseases and conditions associated with aberrant activity of protein kinases.

  描述了对蛋白激酶活性有影响的化合物，以及制备和使用这些化合物来治疗与蛋白激酶异常活性相关的疾病和症状的方法。