4,5-二氯-2-苯并呋喃-1,3-二酮 | 56962-07-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 4,5-二氯-2-苯并呋喃-1,3-二酮
• 中文别名: 3,4-二氯邻苯二甲酸酐；(1-叔-丁氧基羰基-4-甲酯基&lt甲氧羰基&gt-吲哚-2-基)硼酸
• 英文名称: 3,4-dichlorophthalic anhydride
• 英文别名: Dichlorophthalic anhydride；4,5-dichloro-2-benzofuran-1,3-dione
• CAS: 56962-07-3；52005-46-6
• 化学式: C₈H₂Cl₂O₃
• 分子量: 217.008
• InChiKey: GAIPRQZXSYSCRD-UHFFFAOYSA-N

物化性质

• 沸点：
  329.0 °C
• 熔点：
  121.0 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,5-二氯-2-苯并呋喃-1,3-二酮 在 phosphinic acid 、 三叔丁基膦 、 磷酸 、 磷化氢 、 碘 、 sodium acetate 、 palladium diacetate 、 aluminum isopropoxide 、 sodium carbonate 、 溶剂黄146 、 sodium t-butanolate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 66.0h， 生成 15-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,7-dicarbonitrile
  参考文献：
  名称：

  供与体と受容体との間に２つの非共役ブリッジを有する光電変換デバイス用の熱活性化遅延蛍光有機分子

  摘要：

  This invention relates to a novel pure organic radiating molecule represented by formula I and its application in photoelectric conversion devices, particularly involving donor D, acceptor A, bridges B1, and B2, and applied in organic light-emitting diodes (OLEDs). Here, the donor D is an aromatic or heteroaromatic chemical group having a HOMO and randomly at least one substituent, the acceptor A is an aromatic or heteroaromatic chemical group having a LUMO and randomly at least one substituent, and bridges B1 and B2 are organic groups connecting the donor D and acceptor A through non-conjugated means. The energy difference ΔE (S1-T1) between the lowest excited singlet state (S1) and the lower triplet state (T1) of the organic radiating molecule is less than 2000 cm-1.

  公开号：

  JP2018532765A
• 作为产物：
  描述：

  3,4-二氯邻苯二甲酸 生成 4,5-二氯-2-苯并呋喃-1,3-二酮
  参考文献：
  名称：

  Villiger, Chemische Berichte, 1909, vol. 42, p. 3533

  摘要：

  DOI：

文献信息

• CYSTEINYL LEUKOTRIENE ANTAGONISTS
  申请人：Rathod Rajendrasinh

  公开号：US20140155596A1

  公开（公告）日：2014-06-05

  The present invention relates to novel cysteinyl leukotriene (specifically LTD4) antagonists, mainly to quinolin, quinoxaline or benz[c]thiazole derivatives represented by the general formula (I), or the pharmaceutically acceptable salt thereof, process of preparation thereof, and to the use of the compounds in the preparation of pharmaceutical compositions for the therapeutic treatment of disorders related to cysteinyl leukotriene, in mammals, more specially in humans.

  本发明涉及新型半胱氨酸类白三烯（特别是LTD4）拮抗剂，主要是由一般式（I）所代表的喹啉、喹喔啉或苯[c]噻唑衍生物，或其药学上可接受的盐，其制备方法，以及在哺乳动物，特别是人类中，用这些化合物制备用于治疗与半胱氨酸类白三烯相关的疾病的药物组合物。
• [EN] SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS<br/>[FR] DERIVES DE THIAZOLE ET DE PYRIMIDINE SUBSTITUES, MODULATEURS DES RECEPTEURS DE LA MELANOCORTINE
  申请人：TRANSTECH PHARMA INC

  公开号：WO2005103022A1

  公开（公告）日：2005-11-03

  The present invention provides substituted thiazole and pyrimidine derivatives of Formula (I), methods of their preparation, pharmaceutical compositions comprising the compounds of Formula (I), and methods of use in treating human or animal disorders. The compounds of the invention can be useful as inhibitors of action of AgRP on a melanocortin receptor and thus can be useful for the management, treatment, control, or the adjunct treatment of diseases which may be responsive to the modulation of melanocortin receptors including obesity-related disorders.

  本发明提供了式（I）的取代噻唑和嘧啶衍生物，其制备方法，包括式（I）化合物的药物组合物，以及在治疗人类或动物疾病中的应用方法。本发明的化合物可用作对AgRP对黑素皮质激素受体的作用的抑制剂，因此可用于管理、治疗、控制或辅助治疗对黑素皮质激素受体调节可能产生响应的疾病，包括与肥胖相关的疾病。
• [EN] 4-OXO-3-(1-OXO-1H-ISOQUINOLIN-2-YLACETYLAMINO)-PENTANOIC ACID ESTER AND AMIDE DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS<br/>[FR] DERIVES D'ESTERS ET D'AMIDES D'ACIDE 4-OXO-3-(1-OXO-1H-ISOQUINOLIN-2-YLACETYLAMINO)-PENTANOIQUE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE CASPASE
  申请人：VERTEX PHARMA

  公开号：WO2004058718A1

  公开（公告）日：2004-07-15

  The present invention provides a compound of formula (I):, wherein: X i s -OR1 or -N (R5) 2 , Y is halo, trifluorophenoxy, or tetrafluorophenoxy; R1 is: C1-6 straight chained or branched alkyl, alkenyl, or alkynyl, wherein the alkyl, alkenyl, or alkynyl is optionally substituted with optionally substituted aryl, CF3, C1, F, OMe, OEt, OCF3, CN, or NMe2; C1-6 cycloalkyl, wherein 1-2 carbon atoms in the cycloalkyl is optionally replaced with -0- or -NR5-; R2 is C1-6 straight chained or branched alkyl; R3 is hydrogen, halo, OCF3, CN, or CF3; R4 is hydrogen, halo, OCF3, CN, or CF3; and each R5 is independently H, C1-6 straight chained or branched alkyl, aryl, -O-C1-6 straight chained or branched alkyl, or -O-aryl. The present invention also provides pharmaceutical compositions and methods using such compositions for treating a caspase-mediated disease, particularly in the central nervous system.

  本发明提供了一种化合物，其化学式为（I）：其中：X为-OR1或-N（R5）2，Y为卤素，三氟苯氧基或四氟苯氧基；R1为：C1-6直链或支链烷基，烯基或炔基，其中该烷基，烯基或炔基可选择性地与可选择性取代的芳基，CF3，C1，F，OMe，OEt，OCF3，CN或NMe2取代；C1-6环烷基，其中环烷基中的1-2个碳原子可选择性地被-0-或-NR5-取代；R2为C1-6直链或支链烷基；R3为氢，卤素，OCF3，CN或CF3；R4为氢，卤素，OCF3，CN或CF3；每个R5独立地为H，C1-6直链或支链烷基，芳基，-O-C1-6直链或支链烷基，或-O-芳基。本发明还提供了使用这种组合物治疗卡斯帕酶介导的疾病，特别是中枢神经系统疾病的药物组合物和方法。
• Syntheses of Chlorinated Copper Phthalocyanines from Chlorophthalic Anhydrides
  作者：Masahiro Shigemitsu

  DOI：10.1246/bcsj.32.691

  日期：1959.7

  Syntheses of chlorinated copper phthalocyanines from various chlorophthalic anhydrides were conducted. Formation of phthalocyanine depends upon the contents and positions of chlorine atoms of chlorophthalic anhydrides.

  进行了从各种氯邻苯二甲酸酐合成氯化铜酞菁。酞菁的形成取决于氯代邻苯二甲酸酐的氯原子的含量和位置。
• Process for dimerization of aromatic halide compounds
  申请人：Mitsubishi Chemical Industries Limited

  公开号：US04720576A1

  公开（公告）日：1988-01-19

  A process for dehalogeno-dimerization reaction of an aromatic halide compound which comprises dimerizing aromatic halide compound having at least one halogen atom attached to a carbon atom in the aromatic nucleus, and optionally having a substituent other than the halogen atom, in the presence of a platinum group metal catalyst, carbon monoxide, and an alkali metal compound and/or an alkaline earth metal compound.

  一种芳香族卤代化合物的去卤二聚反应的工艺，包括在铂族金属催化剂、一氧化碳和一种碱金属化合物和/或碱土金属化合物的存在下，对至少具有一个卤素原子连接到芳香族核中的碳原子，并且可选择具有卤素原子以外的取代基的芳香族卤代化合物进行二聚化。