5-(氯甲基)-3-环丙基-1,2,4-恶二唑 | 119223-01-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 5-(氯甲基)-3-环丙基-1,2,4-恶二唑
• 英文名称: 5-(Chloromethyl)-3-cyclopropyl-1,2,4-oxadiazole
• CAS: 119223-01-7
• 化学式: C₆H₇ClN₂O
• mdl: MFCD09816101
• 分子量: 158.58
• InChiKey: YWRZTXKBYCOPMY-UHFFFAOYSA-N

物化性质

• 沸点：
  259.5±42.0 °C(Predicted)
• 密度：
  1.386±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4-(1-methyl-1-propyloxy)-phenol 、 5-(氯甲基)-3-环丙基-1,2,4-恶二唑 生成 5-[4-(Sec-butyloxy)-phenoxymethyl]-3-cyclopropyl-1,2,4-oxadiazole
  参考文献：
  名称：

  NEUBAUER, HANS-JURGEN;KARDORFF, UWE;LEYENDECKER, JOACHIM;KUENAST, CHRISTO+

  摘要：

  DOI：

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。
• (p-Phenoxyphenoxy)-methyl-five-membered hetaryls
  申请人：BASF Aktiengesellschaft

  公开号：US04943584A1

  公开（公告）日：1990-07-24

  Novel (p-phenoxyphenoxy)-methyl-five-membered heeroaromatic radicals of the formula ##STR1## where the substituents have the following meanings: R.sup.1, R.sup.2, R.sup.3 hydrogen, halogen, C.sub.1 -C.sub.8 -alkyl, C.sub.1 -C.sub.8 -alkoxy, C.sub.1 -C.sub.4 -haloalkyl, C.sub.1 -C.sub.4 -haloalkoxy, C.sub.3 -C.sub.10 -cycloalkyl, nitro or cyano, R.sup.4 hydrogen or C.sub.1 -C.sub.4 -alkyl, and a five-membered heteroaromatic ring, and their use for combating pests.

  小说(p-苯氧基苯氧基)-甲基-五元杂环芳基自由基的公式为##STR1##其中取代基有以下含义：R.sup.1、R.sup.2、R.sup.3为氢、卤素、C.sub.1 -C.sub.8 -烷基、C.sub.1 -C.sub.8 -氧基烷基、C.sub.1 -C.sub.4 -卤代烷基、C.sub.1 -C.sub.4 -卤代氧基烷基、C.sub.3 -C.sub.10 -环烷基、硝基或氰基，R.sup.4为氢或C.sub.1 -C.sub.4 -烷基，以及一个五元杂环芳基环，并用于防治害虫。
• Phenoxyalkyl-substituted heteroaromatics and a method for controlling
  申请人：BASF Aktiengesellschaft

  公开号：US05212194A1

  公开（公告）日：1993-05-18

  Phenoxyalkyl-substituted heteroaromatics of the formulae Ia and Ib ##STR1## where the substituents have the following meanings: R.sup.1 C.sub.1 -C.sub.12 -alkyl, C.sub.2 -C.sub.12 -alkenyl, C.sub.2 -C.sub.12 -alkynyl, C.sub.1 -C.sub.12 -haloalkyl, C.sub.2 -C.sub.12 -haloalkenyl, C.sub.2 -C.sub.12 -haloalkynyl, C.sub.3 -C.sub.12 -alkoxyalkyl, C.sub.3 -C.sub.8 -cycloalkyl, C.sub.4 -C.sub.12 -cycloalkylalkyl, C.sub.3 -C.sub.8 -halocycloalkyl, C.sub.4 -C.sub.12 -halocycloalkylalkyl, C.sub.4 -C.sub.12 -cycloalkylhaloalkyl or C.sub.4 -C.sub.12 -halocycloalkylhaloalkyl; Z hydrogen, halogen, C.sub.1 -C.sub.8 -alkyl, C.sub.1 -C.sub.8 -alkoxy, C.sub.1 -C.sub.4 -haloalkyl, C.sub.1 -C.sub.4 -haloalkoxy, C.sub.3 -C.sub.10 -cycloalkyl, nitro or cyano in the case of Ia and hydrogen, halogen, or C.sub.1 -C.sub.4 -alkyl in the case of Ib; X O, S, SO.sub.2 ; Q.sub.a substituted or unsubstituted azole; Q.sub.b substituted or unsubstituted heteroaromatic; methods of manufacturing compounds Ia and Ib, and their use for combating pests.

  公式Ia和Ib的Phenoxyalkyl取代杂环化合物，其中取代基具有以下含义：R.sup.1 C.sub.1 -C.sub.12 -烷基，C.sub.2 -C.sub.12 -烯基，C.sub.2 -C.sub.12 -炔基，C.sub.1 -C.sub.12 -卤代烷基，C.sub.2 -C.sub.12 -卤代烯基，C.sub.2 -C.sub.12 -卤代炔基，C.sub.3 -C.sub.12 -烷氧基烷基，C.sub.3 -C.sub.8 -环烷基，C.sub.4 -C.sub.12 -环烷基烷基，C.sub.3 -C.sub.8 -卤代环烷基，C.sub.4 -C.sub.12 -卤代环烷基烷基，C.sub.4 -C.sub.12 -环烷基卤代烷基或C.sub.4 -C.sub.12 -卤代环烷基卤代烷基；Z氢，卤素，C.sub.1 -C.sub.8 -烷基，C.sub.1 -C.sub.8 -烷氧基，C.sub.1 -C.sub.4 -卤代烷基，C.sub.1 -C.sub.4 -卤代烷氧基，C.sub.3 -C.sub.10 -环烷基，硝基或氰基在Ia的情况下，氢，卤素或C.sub.1 -C.sub.4 -烷基在Ib的情况下；X O，S，SO.sub.2；Q.sub.a取代或未取代的唑类；Q.sub.b取代或未取代的杂环芳香族化合物；制造化合物Ia和Ib的方法，以及它们用于防治害虫的用途。
• 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。
• p-Phenoxy-phenoxymethyl-fünfring-heteroaromaten
  申请人：BASF Aktiengesellschaft

  公开号：EP0287959A2

  公开（公告）日：1988-10-26

  Die vorliegende Erfindung betrifft neue (p-Phenoxy-phenoxy)-methyl-fünfringheteroaromaten der allgemeinen Formel I

  本发明涉及通式 I 的新型（对苯氧基-苯氧基）-甲基五环杂芳烃