2-Chlor-5-methoxy-benzylcyanid | 90537-17-0

• 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: 2-Chlor-5-methoxy-benzylcyanid
• 英文别名: (2-Chlor-5-methoxy-phenyl)-acetonitril；2-(2-chloro-5-methoxyphenyl)acetonitrile；2-chloro-5-methoxy-phenylacetonitrile
• CAS: 90537-17-0
• 化学式: C₉H₈ClNO
• mdl: MFCD09924119
• 分子量: 181.622
• InChiKey: KBQRQQFFSGMVHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Chlor-5-methoxy-benzylcyanid 在 三溴化硼 、 potassium carbonate 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 二氯甲烷 、 丙酮 为溶剂， 生成 2-(5-((2-bromo-5-fluorobenzyl)oxy)-2-chlorophenyl)-2-isopropyl-3-methylbutanenitrile
  参考文献：
  名称：

  Synthesis of Polycyclic Molecules by Double C(sp²)−H/C(sp³)−H Arylations with a Single Palladium Catalyst

  摘要：

  Polycyclic molecules were obtained in good yields by double C(sp(2))-H/C(sp(3))-H arylations mediated by a single palladium/phosphine catalyst. Both double intermoleculadintramolecular and intramoleculadintramolecular C-C couplings were performed successfully, which indicates that this concept has a broad applicability for the rapid construction of molecular complexity.

  DOI：

  10.1021/ol200329e
• 作为产物：
  描述：

  2-氯-5-甲氧基苯甲酸甲酯 在 lithium aluminium tetrahydride 、 三溴化磷 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 为溶剂， 生成 2-Chlor-5-methoxy-benzylcyanid
  参考文献：
  名称：

  一些与四环素有关的四氢萘酮的合成

  摘要：

  5-氯-8-甲氧基-1-四氢萘酮（XIV），6,8-二甲氧基-1-四氢萘酮（XIX），2-乙氧基-6,8-二甲氧基-1-四氢萘酮（VI），3-（ 2'-氯-5'-甲氧基苄基）-6,8-二甲氧基-1-四氢萘酮（III）和2-甲乙氧基-3-（2'-氯-5'-甲氧基苄基）-6,8-二甲氧基-1-报告了四氢萘酮（IV）。描述了用I和相关化合物的多磷酸环化的方式。

  DOI：

  10.1016/s0040-4020(01)99309-3

文献信息

• [EN] HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS<br/>[FR] COMPOSÉS HÉTÉROAROMATIQUES ET LEUR UTILISATION COMME LIGANDS DE LA DOPAMINE D1
  申请人：PFIZER

  公开号：WO2014072881A1

  公开（公告）日：2014-05-15

  The present invention provides, in part, compounds of Formula I: and pharmaceutically acceptable salts thereof and N-oxides thereof; processes and intermediates for preparation of; and compositions and uses thereof. The present invention further provides D1 agonists with reduced D1R desensitization, D1 agonists with a reduced β- arrestin recruitment activity relative to Dopamine, D1 agonists interacting significantly with the Ser188 but not significantly with the Ser202 of a D1R when binding to the D1R, D1 agonists interacting less strongly with the Asp103 and interacting less strongly with the Ser198 of a D1R when binding to the D1R, and their uses.

  本发明部分提供了化合物I的公式：及其药学上可接受的盐和N-氧化物；制备的过程和中间体；以及其组合物和用途。本发明进一步提供了具有减少D1R耐受性的D1激动剂，相对于多巴胺具有减少β-阿雷斯汀招募活性的D1激动剂，当结合到D1R时与D1R的Ser188显著相互作用但与Ser202的相互作用不显著的D1激动剂，当结合到D1R时与D1R的Asp103相互作用较弱并且与Ser198相互作用较弱的D1激动剂，以及它们的用途。
• Tetraisoquinoline compounds which have useful pharmaceutical utility
  申请人：The Boots Company PLC

  公开号：US05519034A1

  公开（公告）日：1996-05-21

  Tetrahydroisoquinoline compounds of formula I ##STR1## and pharmaceutically acceptable salts and lipophilic ester thereof have utility as analgesics and in the treatment of psychoses, Parinson's disease, Lesch-Nyan syndrome, attention deficit disorder or cognitive impairment or in the relief of drug dependence or tardive dyskinesia.

  式I的四氢异喹啉化合物 ##STR1## 和其药学上可接受的盐和亲脂性酯具有镇痛剂的功效，并可用于治疗精神病、帕金森病、Lesch-Nyan综合症、注意力缺陷障碍或认知障碍，或缓解药物依赖或迟发性运动障碍。
• Heteroaromatic Compounds and their Use as Dopamine D1 Ligands
  申请人：PFIZER INC.

  公开号：US20150344490A1

  公开（公告）日：2015-12-03

  The present invention provides, in part, compounds of Formula I: and pharmaceutically acceptable salts thereof and N-oxides thereof; processes and intermediates for preparation of; and compositions and uses thereof. The present invention further provides D1 agonists with reduced D1R desensitization, D1 agonists with a reduced β-arrestin recruitment activity relative to Dopamine, D1 agonists interacting significantly with the Ser188 but not significantly with the Ser202 of a D1R when binding to the D1R, D1 agonists interacting less strongly with the Asp103 and interacting less strongly with the Ser198 of a D1R when binding to the D1R, and their uses.

  本发明提供了部分式I的化合物及其药学上可接受的盐和N-氧化物；其制备的过程和中间体；以及其组合物和用途。本发明还提供了具有降低D1R失效的D1激动剂，具有相对于多巴胺降低β-阻滞素招募活性的D1激动剂，当结合到D1R时与Ser188显著相互作用但与Ser202显著不相互作用的D1激动剂，当结合到D1R时与Asp103相互作用较弱且与Ser198相互作用较弱的D1激动剂，以及它们的用途。
• 1,1-Dichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane and Related Compounds¹
  作者：Takeshi Inoi、Peter Gericke、W. J. Horton

  DOI：10.1021/jo01059a110

  日期：1962.12
• SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS
  申请人：The Boots Company PLC

  公开号：EP0618900A1

  公开（公告）日：1994-10-12