4-(6-chlorobenzofuran-7-ylamino)-7-hydroxy6-methoxyquinazoline | 412349-22-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-(6-chlorobenzofuran-7-ylamino)-7-hydroxy6-methoxyquinazoline
• 英文别名: 4-(6-Chlorobenzofuran-7-ylamino)-7-hydroxy-6-methoxyquinazoline；4-[(6-chloro-1-benzofuran-7-yl)amino]-6-methoxyquinazolin-7-ol
• CAS: 412349-22-5
• 化学式: C₁₇H₁₂ClN₃O₃
• 分子量: 341.754
• InChiKey: BEBUJYNPBLSGEH-UHFFFAOYSA-N

物化性质

• 沸点：
  518.9±50.0 °C(Predicted)
• 密度：
  1.503±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  80.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(6-chlorobenzofuran-7-ylamino)-7-hydroxy6-methoxyquinazoline 在 potassium carbonate 作用下， 以 乙醚 、 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 生成 4-(6-chlorobenzofuran-7-ylamino)-7-[(2R)-2,3-epoxypropoxy]-6-methoxyquinazoline
  参考文献：
  名称：

  Quinazoline derivatives with anti-tumour activity

  摘要：

  这项发明涉及式I的喹唑啉衍生物，其中m、R1、n、R2和R3中的每一个具有描述中定义的任意含义；它们的制备方法，含有它们的药物组合物以及它们在制造用作抗侵袭剂的药物的过程中在固体肿瘤疾病的控制和/或治疗中的使用。

  公开号：

  US20040048881A1

文献信息

• DIAMINE COMPOSITION, AND METHOD OF PREPARING DIISOCYANATE COMPOSITION
  申请人：SKC CO., LTD.

  公开号：US20210171447A1

  公开（公告）日：2021-06-10

  The diamine composition according to an embodiment of the present invention comprises a benzylmonoamine having a methyl group in an amount of 10 ppm to 2,000 ppm in the composition. When it is used for the preparation of a diisocyanate composition and an optical material, it is possible to improve the optical characteristics by preventing the occurrence of yellowing, striae, and cloudiness in the optical material and enhancing the mechanical properties such as impact resistance at the same time. In addition, in the process for preparing a diisocyanate composition according to another embodiment, the b* value according to the CIE color coordinate of a diamine composition is adjusted to a specific range, whereby it is possible to enhance not only the yield and purity of the diisocyanate composition but also the optical characteristics of the final optical lens. Thus, the process for preparing a diisocyanate composition can be applied to the preparation of a plastic optical lens of high quality.

  根据本发明实施例的二胺组合物包括一种苄基单胺，其中该苄基单胺中含有10 ppm至2,000 ppm的甲基基团。当用于制备二异氰酸酯组合物和光学材料时，可以通过防止光学材料中的发黄、条纹和浑浊的发生，同时提高冲击抗性等机械性能，改善光学特性。此外，在根据另一实施例制备二异氰酸酯组合物的过程中，将二胺组合物的CIE色坐标中的b*值调整到特定范围，不仅可以提高二异氰酸酯组合物的产率和纯度，还可以提高最终光学透镜的光学特性。因此，制备二异氰酸酯组合物的过程可应用于高质量的塑料光学透镜的制备。
• METHOD OF PREPARING DIISOCYANATE COMPOSITION AND OPTICAL LENS
  申请人：SKC CO., LTD.

  公开号：US20210171443A1

  公开（公告）日：2021-06-10

  In the embodiments, an aqueous hydrochloric acid solution instead of hydrogen chloride gas and solid triphosgene instead of phosgene gas may be used in the process of preparing a diisocyanate from a diamine through a diamine hydrochloride. In addition, the embodiments provide processes for preparing a diisocyanate composition and an optical lens of higher quality, in which the reaction temperature of a diamine hydrochloride composition and triphosgene is controlled to a specific range, or a crude diisocyanate composition obtained from the reaction of a diamine hydrochloride composition and triphosgene is distilled at a specific temperature range, or the molar ratio of a diamine hydrochloride and triphosgene is adjusted to a specific range.

  在实施例中，制备二元胺盐酸盐经过固体三膦酰氯代替光气气体和水溶性盐酸酸溶液代替氢氯酸气体的过程。此外，实施例提供了制备高质量二元异氰酸酯组合物和光学透镜的过程，其中通过控制二元胺盐酸盐和三膦酰氯的反应温度在特定范围内，或通过在特定温度范围内蒸馏从二元胺盐酸盐和三膦酰氯的反应中得到的原始二元异氰酸酯组合物，或通过调整二元胺盐酸盐和三膦酰氯的摩尔比在特定范围内来实现。
• DIISOCYANATE COMPOSITION, PREPARATION METHOD THEREOF AND OPTICAL MATERIAL USING SAME
  申请人：SKC CO., LTD.

  公开号：US20210171451A1

  公开（公告）日：2021-06-10

  The diisocyanate composition according to an embodiment of the present invention comprises, in the composition, a benzyl isocyanate having a methyl group in an amount of 5 ppm to 200 ppm, an aromatic compound having a halogen group in an amount of 5 ppm to 1,000 ppm, a benzyl isocyanate having an ethyl group in an amount of 1 ppm to 1,000 ppm, or a combination thereof. It is possible to improve the optical characteristics by preventing the occurrence of yellowing, striae, and cloudiness and to enhance the mechanical properties such as impact resistance at the same time. Thus, it can be advantageously used to prepare an optical material of high quality.

  根据本发明实施例的二异氰酸酯组合物包括：在组合物中，含有甲基基团的苄基异氰酸酯，其量为5ppm至200ppm；含有卤素基团的芳香化合物，其量为5ppm至1,000ppm；含有乙基基团的苄基异氰酸酯，其量为1ppm至1,000ppm；或其组合物。通过防止黄变、条纹和浑浊的发生，可以改善光学特性，并同时增强冲击抗性等机械性能。因此，它可以优势地用于制备高质量的光学材料。
• METHOD OF PREPARING DIISOCYANATE COMPOSITION
  申请人：SKC CO., LTD.

  公开号：US20210171449A1

  公开（公告）日：2021-06-10

  In the embodiments, an aqueous hydrochloric acid solution instead of hydrogen chloride gas and solid triphosgene instead of phosgene gas may be used in the process of preparing a diisocyanate from a diamine through a diamine hydrochloride. In addition, the embodiments provide processes for preparing a diisocyanate composition and an optical lens, which are excellent in yield and quality with mitigated environmental problems by controlling the size of the diamine hydrochloride composition, the b* value according to the CIE color coordinate of the diamine hydrochloride composition, or the content of water in the diamine hydrochloride composition within a specific range.

  在实施例中，制备二异氰酸酯的过程中，可以使用水溶性盐酸溶液代替氢氯酸气体，以及使用固态三噁烯代替光气气体。此外，实施例提供了制备二异氰酸酯组合物和光学透镜的方法，通过控制盐酸二胺组成物的尺寸、CIE颜色坐标中的b*值或盐酸二胺组成物中水的含量在特定范围内，获得高产率和高质量的同时减少环境问题。
• METHOD FOR PRODUCING POLYTHIOL COMPOUND, POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND USES THEREOF
  申请人：MITSUI CHEMICALS, INC.

  公开号：US20150126781A1

  公开（公告）日：2015-05-07

  Provided is a method for producing a polythiol compound, comprising: a step for reacting a polyalcohol compound represented by the following formula (4) with thiourea in the presence of hydrogen chloride to obtain an isothiuronium salt; a step for adding, while maintaining a reaction solution containing the isothiuronium salt thus obtained at a temperature of 20° C. to 60° C., aqueous ammonia to the reaction solution within 80 minutes, thereby hydrolyzing the isothiuronium salt to obtain a polythiol compound containing, as a main component, one kind or two or more kinds selected from the group consisting of compounds represented by the following formulae (6) to (8); and a step for adding hydrochloric acid which is a concentration of 30% to 36% to the solution containing the polythiol compound thus obtained, washing the solution at a temperature of 30° C. to 55° C. to purify the polythiol compound.

  提供了一种制备多硫化合物的方法，包括以下步骤：与硫脲在氯化氢存在下反应，以得到异硫脲盐，所述硫脲为以下式（4）所表示的多羟基化合物；在保持包含所得异硫脲盐的反应溶液在20℃至60℃的温度下，在80分钟内向反应溶液中加入水溶氨，从而水解异硫脲盐，以得到含有以下化合物所表示的化合物中的一种或两种或两种以上的主要成分的多硫化合物（6）至（8）；以及向所得多硫化合物的溶液中添加浓度为30％至36％的盐酸，以在30℃至55℃的温度下洗涤溶液，以纯化多硫化合物。