tert-butyl 2-chloro-5-cyano-1H-benzo[d]imidazole-1-carboxylate | 1075753-43-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: tert-butyl 2-chloro-5-cyano-1H-benzo[d]imidazole-1-carboxylate
• CAS: 1075753-43-3
• 化学式: C₁₃H₁₂ClN₃O₂
• 分子量: 277.71
• InChiKey: KDJVVRYVCWNFGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.34
• 重原子数：
  19.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  67.91
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  螺[异苯并呋喃-1(3H),4'-哌啶]-3-酮盐酸盐 、 tert-butyl 2-chloro-5-cyano-1H-benzo[d]imidazole-1-carboxylate 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Design, syntheses, and structure–activity relationships of novel NPY Y5 receptor antagonists: 2-{3-Oxospiro[isobenzofuran-1(3H),4′-piperidin]-1′-yl}benzimidazole derivatives

  摘要：

  Design, syntheses, and structure-activity relationships of a novel class of 2-{3-oxospiro[isobenzofuran-1(3H),4'-piperidin]-1'-yl}benzimidazole NPY Y5 receptor antagonists are described. The benzimidazole structures were newly designed based on the urea linkage of our prototype Y5 receptor antagonists (2 and 3). By optimizing substituents on the benzimidazole core part of the lead compound 5a, we were able to develop a potent, orally available, and brain-penetrable Y5 selective antagonist (5k). Crown Copyright (C) 2008 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.018
• 作为产物：
  描述：

  2-氯-5-氰基苯并咪唑 、 二碳酸二叔丁酯 在 4-二甲氨基吡啶 作用下， 以 氯仿 为溶剂， 生成 tert-butyl 2-chloro-5-cyano-1H-benzo[d]imidazole-1-carboxylate
  参考文献：
  名称：

  Design, syntheses, and structure–activity relationships of novel NPY Y5 receptor antagonists: 2-{3-Oxospiro[isobenzofuran-1(3H),4′-piperidin]-1′-yl}benzimidazole derivatives

  摘要：

  Design, syntheses, and structure-activity relationships of a novel class of 2-{3-oxospiro[isobenzofuran-1(3H),4'-piperidin]-1'-yl}benzimidazole NPY Y5 receptor antagonists are described. The benzimidazole structures were newly designed based on the urea linkage of our prototype Y5 receptor antagonists (2 and 3). By optimizing substituents on the benzimidazole core part of the lead compound 5a, we were able to develop a potent, orally available, and brain-penetrable Y5 selective antagonist (5k). Crown Copyright (C) 2008 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.018

文献信息

• Catalyst‐Free Intermolecular Sulfonyl/Fluoromethyl Heteroarylation of Vinyl Ethers via Visible‐Light‐Induced Charge Transfer
  作者：Tianyu Long、Shiwei Pan、Shengqing Zhu、Lingling Chu

  DOI：10.1002/chem.202104080

  日期：2022.3.10

  A visible-light-induced three-component sulfonyl-heteroarylation of vinyl ethers with sulfinates and five-membered heteroaryl chlorides is reported. This protocol proceeds via a photoinduced electron transfer process of electron-donor-acceptor complex between sulfinates and heteroaryl chlorides, enabling facile excess to β-sulfonyl and β-fluoromethyl α-oxy alkyl heteroaromatics under mild and catalyst-free

  报道了可见光诱导的乙烯基醚与亚磺酸盐和五元杂芳基氯化物的三组分磺酰基杂芳基化。该协议通过亚磺酸盐和杂芳基氯化物之间的电子-供体-受体复合物的光致电子转移过程进行，在温和和无催化剂的条件下，能够轻松过量到 β-磺酰基和 β-氟甲基 α-氧烷基杂芳烃。