ethyl 2-(3,5-dichlorophenyl)acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 2-(3,5-dichlorophenyl)acetate
• 英文别名: ethyl 3,5-dichlorophenylacetate
• 化学式: C₁₀H₁₀Cl₂O₂
• 分子量: 233.094
• InChiKey: WMXMFJJIJKZOGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl 2-(3,5-dichlorophenyl)acetate 、 硝基苯 在 potassium tert-butylate 作用下， 以 苯 为溶剂， 以71%的产率得到(3,5-dichlorophenyl)(4-nitrophenyl)methanone
  参考文献：
  名称：

  Transition-Metal-Free Regiospecific Aroylation of Nitroarenes Using Ethyl Arylacetates at Room Temperature

  摘要：

  A novel regiospecific C(sp(3))-C(sp(2)) coupling between ethyl arylacetates and nitroarenes has been developed to deliver biaryl ketones in excellent yields. The protocol is metal-free, mild, and compatible with a number of functional groups on both of the reacting partners.

  DOI：

  10.1021/acs.orglett.7b03882
• 作为产物：
  描述：

  甘氨酸乙酯盐酸盐 、 3,5-二氯苯硼酸 在 氯化铵 、 sodium nitrite 作用下， 以 水 、 甲苯 为溶剂， 反应 24.0h， 以99%的产率得到ethyl 2-(3,5-dichlorophenyl)acetate
  参考文献：
  名称：

  α-芳基酯和腈的合成：α-氨基酯和α-氨基乙腈与芳基硼酸的脱氨偶联

  摘要：

  已开发出分别使用芳基硼酸与α-氨基酯和α-氨基乙腈作为原料的无过渡金属合成α-芳基酯和腈的方法。该反应代表了将C（sp 3）N键转换为C（sp 3）C（sp 2）键的罕见情况。反应条件温和，表现出良好的官能团耐受性，并且可以扩大规模。

  DOI：

  10.1002/anie.201406765

文献信息

• [EN] 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS<br/>[FR] DÉRIVÉS DE 1-HÉTÉROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE ET LEURS UTILISATIONS À TITRE DE MODULATEURS DE PDE9A
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009121919A1

  公开（公告）日：2009-10-08

  The invention relates to novel 1,6-disubstituted pyrazolopyrimidinones, Formula (I) with Hc is a mono-, bi- or tricyclic heterocyclyl group, the ring members of which are carbon atoms and at least 1, preferably 1, 2 or 3, heteroatom(s), which are selected from the group of nitrogen, oxygen and sulphur, which is in the form of -S(O)r - with r being 0, 1 or 2, and - said heterocyclyl group is or comprises 1 non-aromatic, saturated, or partly unsaturated monocyclic ring which comprises at least 1 heteroatom as ring member and - said heterocyclyl group is bound to the scaffold by said 1 non- aromatic, saturated, or partly unsaturated monocyclic ring which comprises at least 1 heteroatom as ring member. According to one aspect of the invention the new compounds are for the manufacture of medicaments, in particular medicaments for the treatment of conditions concerning deficits in perception, concentration, learning or memory. The new compounds are also for the manufacture of medicaments for the treatment of Alzheimer's disease.

  该发明涉及新型1,6-二取代吡唑吡嘧啶酮，化学式（I），其中Hc是一个单环、双环或三环杂环基团，其环成员为碳原子和至少1个，优选1个、2个或3个来自氮、氧和硫的杂原子，其以-S(O)r-的形式存在，其中r为0、1或2，所述杂环基团是或包括1个非芳香、饱和或部分不饱和的单环环，其中至少包含1个杂原子作为环成员，所述杂环基团通过所述至少包含1个杂原子作为环成员的非芳香、饱和或部分不饱和的单环环与支架相结合。根据该发明的一个方面，新化合物用于制造药物，特别是用于治疗感知、注意力、学习或记忆缺陷相关疾病的药物。新化合物还用于制造治疗阿尔茨海默病的药物。
• [EN] TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES<br/>[FR] BENZO[e]ISOINDOLES ET BENZO[h]ISOQUINOLEINES TRICYCLIQUES
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：WO1998030546A1

  公开（公告）日：1998-07-16

  (EN) The present invention is concerned with novel benzo[e]-isoindoles and benzo[h]isoquinolines. Since the compounds in accordance with the invention can bind to serotonin receptors (5HT2), they are especially suitable for the treatment or prevention of central nervous disorders such as depressions, bipolar disorders, anxiety states, sleep and sexual disorders, psychoses, schizophrenia, migraine and other conditions associated with cephalic pain or pain of a different kind, personality disorders or obsessive-compulsive disorders, social phobias or panic attacks, mental organic disorders, mental disorders in childhood, aggressivity, age-related memory disorders and behavioural disorders, addiction, obesity, bulimia, etc., nervous system damage caused by trauma, stroke, neurodegenerative diseases, etc.; cardiovascular disorders such as hypertension, thrombosis, stroke, etc; and gastrointestinal disorders such as dysfunction of the gastrointestinal tract motility.(FR) L'invention concerne de nouveaux benzo[e]isoindoles et benzo[h]isoquinoléines tricycliques. Etant donné que ces composés peuvent se fixer aux récepteurs de sérotonine (5HT2), ils sont particulièrement appropriés pour le traitement ou la prévention de maladies du système nerveux central, telles que les dépressions, les troubles bipolaires, les états d'anxiété, les troubles du sommeil, les troubles sexuels, les psychoses, la schizophrénie, la migraine et d'autres états associés aux douleurs céphalées ou aux douleurs d'autre type, les troubles de la personnalité, les névroses obsessionnelles, les phobies sociales, les crises de panique, les maladies mentales organiques, les maladies mentales de l'enfance, l'agressivité, la perte de mémoire sénile, les troubles du comportement, la toxicomanie, l'obésité, la boulimie, les lésions du système nerveux provoquées par un traumatisme, une attaque; de maladies neurodégénératives, de maladies cardio-vasculaires, telles que l'hypertension, la thrombose, les attaques, ainsi que de maladies gastro-intestinales, telles que le dysfonctionnement de la motilité du tractus gastro-intestinal.

  该发明涉及新型苯并[e]-异吲哚和苯并[h]异喹啉。由于符合该发明的化合物可以结合到血清素受体(5HT2)，因此它们特别适用于治疗或预防中枢神经系统疾病，如抑郁症、双相障碍、焦虑状态、睡眠和性功能障碍、精神病、精神分裂症、偏头痛和其他与头痛或不同种类的疼痛有关的情况、人格障碍或强迫症、社交恐惧症或惊恐发作、器质性精神障碍、儿童精神障碍、攻击性、年龄相关的记忆障碍和行为障碍、成瘾、肥胖、暴食症等，以及由创伤、中风、神经退行性疾病等引起的神经系统损伤；心血管疾病，如高血压、血栓形成、中风等；以及胃肠功能障碍，如胃肠道动力失调。
• New amino acid derivatives and their use as thrombin inhibitors
  申请人：AstraZeneca AB

  公开号：US20020019371A1

  公开（公告）日：2002-02-14

  There is provided compounds of formula I, 1 wherein R 1 , R 2 , R 3 , R x , Y, n and B have meanings given in the description which are useful as competitive inhibitors of trypsin-like proteases, such as thrombin, and in particular in the treatment of conditions where inhibition of thrombin is required (e.g. thrombosis) or as anticoagulants.

  提供了公式I,1的化合物，其中R1、R2、R3、Rx、Y、n和B的含义在描述中给出，这些化合物可用作类似胰蛋白酶的蛋白酶的竞争性抑制剂，如凝血酶，特别用于治疗需要抑制凝血酶的情况（如血栓形成）或作为抗凝剂。
• 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATES AND THEIR USE AS PDE9A MODULATORS
  申请人：Giovannini Riccardo

  公开号：US20110184000A1

  公开（公告）日：2011-07-28

  The invention relates to novel 1,6-disubstituted pyrazolopyrimidinones, Formula (I) with is a mono-, bi- or tri-cyclic heterocyclyl group, the ring members of which are carbon atoms and at least 1, preferably 1, 2 or 3, heteroatom(s), which are selected from the group of nitrogen, oxygen and sulphur, which is in the form of —S(O) r — with r being 0, 1 or 2, and—said heterocyclyl group is or comprises 1 non-aromatic, saturated, or partly unsaturated monocyclic ring which comprises at least 1 heteroatom as ring member and—said heterocyclyl group is bound to the scaffold by said 1 non-aromatic, saturated, or partly unsaturated monocyclic ring which comprises at least 1 heteroatom as ring member. According to one aspect of the invention the new compounds are for the manufacture of medicaments, in particular medicaments for the treatment of conditions concerning deficits in perception, concentration, learning or memory. The new compounds are also for the manufacture of medicaments for the treatment of Alzheimer's disease.

  本发明涉及一种新型的1,6-二取代吡唑嘧啶酮（Formula (I)），其中为单、双或三环杂环基，其环成员为碳原子，至少1个，优选1、2或3个杂原子，所述杂原子选自氮、氧和硫的群体，并以—S(O)r—的形式出现，其中r为0、1或2，所述杂环基是或包含1个非芳香、饱和或部分不饱和的单环环，其中至少包含1个杂原子作为环成员，并且所述杂环基通过所述1个非芳香、饱和或部分不饱和的单环环，其中至少包含1个杂原子作为环成员，与支架结合。根据本发明的一方面，新化合物用于制造药物，特别是用于治疗感知、注意力、学习或记忆缺陷的药物。新化合物也用于制造治疗阿尔茨海默病的药物。
• NEW COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS
  申请人：GIOVANNINI Riccardo

  公开号：US20110082137A1

  公开（公告）日：2011-04-07

  The invention relates to novel 1,6-disubstituted pyrazolopyrimidinones of formula (I), in which Hc is a tetrahydropyranyl-group and R 1 is the group V—W−*, whereby V and W independently of each other may be an aryl group or an heteroaryl group, which independently of each other may optionally be substituted. According to one aspect of the invention the new compounds are for use as medicaments or for the manufacture of medicaments, in particular medicaments for the treatment of conditions concerning deficits in perception, concentration, learning or memory. The new compounds are also for the manufacture of medicaments and/or for use in the treatment of e.g. Alzheimer's disease, in particular for cognitive impairment associated with Alzheimer's disease.

  本发明涉及一种新型的1,6-二取代吡唑嘧啶酮化合物，其化学式为（I），其中Hc为四氢吡喃基团，R1为V-W−*基团，其中V和W各自独立地可以是芳基基团或杂环基团，可以选择地进行取代。根据本发明的一个方面，这些新化合物可用作药物或制药用途，特别是用于治疗与感知、注意力、学习或记忆缺陷有关的疾病。这些新化合物还可用于制药或用于治疗例如阿尔茨海默病等疾病，特别是用于与阿尔茨海默病相关的认知障碍的治疗。