1-(3-tert-butyl-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(3-tert-butyl-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea
• 英文别名: 1-(5-tert-butyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]-urea；1-(5-tert-butyl-1H-pyrazol-3-yl)-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
• 化学式: C₂₄H₃₁N₅O₃
• 分子量: 437.542
• InChiKey: UUOCBMWQMHKLKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  91.5
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(3-tert-butyl-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea 、 4-甲氧羰基苯硼酸 在 吡啶 、 copper diacetate 作用下， 以 二氯甲烷 为溶剂， 反应 17.0h， 以71%的产率得到1-(3-tert-butyl-1-(4-methoxycarbonylphenyl)-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea
  参考文献：
  名称：

  Synthesis of p38 MAP kinase inhibitor BIRB 796 and analogs via copper-mediated N-arylation reaction

  摘要：

  Direct N-arylation of urea (5) with various arylboronic acids mediated by cupric acetate furnished BIR8796 and a range of N-substituted BIRB796 analogs in good to moderate yields in one step. Urea (5) was readily synthesized from commercially available compounds. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.06.109
• 作为产物：
  描述：

  2,2,2-trichloroethyl 4-(2-morpholinoethoxy)naphthalen-1-ylcarbamate 、 3-叔丁基-吡唑-5-胺 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 反应 14.0h， 以84%的产率得到1-(3-tert-butyl-1H-pyrazol-5-yl)-3-(4-(2-morpholinoethoxy)naphthalen-1-yl)urea
  参考文献：
  名称：

  Synthesis of p38 MAP kinase inhibitor BIRB 796 and analogs via copper-mediated N-arylation reaction

  摘要：

  Direct N-arylation of urea (5) with various arylboronic acids mediated by cupric acetate furnished BIR8796 and a range of N-substituted BIRB796 analogs in good to moderate yields in one step. Urea (5) was readily synthesized from commercially available compounds. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.06.109

文献信息

• Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents
  申请人：——

  公开号：US20020123631A1

  公开（公告）日：2002-09-05

  This invention relates to novel processes for preparing heteroaryl-substituted urea compounds of formula (I): 1 which are useful for treating diseases and pathological conditions involving inflammation such as chronic inflammatory disease. X, Ar, L, Q and 2 are described herein.

  这项发明涉及制备异芳基取代脲化合物的新工艺，其化学式如下（I）：1，这些化合物可用于治疗涉及炎症的疾病和病理状况，如慢性炎症性疾病。X、Ar、L、Q和2在此有描述。
• Tetrahedron Lett. 2010, 51, 4547-4551
  作者：

  DOI：——

  日期：——
• PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS USEFUL AS ANTIINFLAMMATORY AGENTS
  申请人：BOEHRINGER INGELHEIM PHARMACEUTICALS INC.

  公开号：EP1362037A1

  公开（公告）日：2003-11-19
• US6916924B2
  申请人：——

  公开号：US6916924B2

  公开（公告）日：2005-07-12
• [EN] PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS USEFUL AS ANTIINFLAMMATORY AGENTS<br/>[FR] PROCEDE DE SYNTHESE DE COMPOSES D'UREE A SUBSTITUTION HETEROARYLE UTILES COMME AGENTS ANTI-INFLAMMATOIRES
  申请人：BOEHRINGER INGELHEIM PHARMA

  公开号：WO2002066442A1

  公开（公告）日：2002-08-29

  This invention relates to novel processes for preparing heteroaryl-substituted urea compounds of formula (I) which are useful for treating diseases and pathological conditions involving inflammation such as chronic inflammtory disease.