β-iodo-isopropylamine

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机碘化物
• 英文名称: β-iodo-isopropylamine
• 英文别名: β-Jod-isopropylamin；1-Jod-2-amino-propan；(+/-)-2-Iod-1-methyl-ethylamin；2-Amino propyl iodide；1-iodopropan-2-amine
• 化学式: C₃H₈IN
• 分子量: 185.008
• InChiKey: YVURGVICOUYWPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  5
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(4-fluorophenyl)-5-(piperidin-4-yl)-3-(pyridin-4-yl)-pyrrole 、 β-iodo-isopropylamine 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-1-methyl-ethylamine
  参考文献：
  名称：

  Synthesis and SAR of 2,3-diarylpyrrole inhibitors of parasite cGMP-dependent protein kinase as novel anticoccidial agents

  摘要：

  Several analogs of 2,3-diaryl pyrroles were synthesized and evaluated as inhibitors of Eimeria tenella cGMP-dependent protein kinase and in. in vivo anticoccidial assays. A 4-fluorophenyl group enhances both in vitro and in Vivo activities. The most potent analogs are the-5-(N-methyl, N-ethyl, and N-methylazetidine methyl) piperidyl derivatives 12, 23, and 34. These compounds have a broad spectrum of activity. Based on the in vivo efficacy and cost of synthesis, the N-ethyl analog 23 was chosen as a novel anticoccidial agent for a field trial. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.060
• 作为产物：
  描述：

  (2R)-1-苯氧基丙-2-胺 在 氢碘酸 作用下， 生成 β-iodo-isopropylamine
  参考文献：
  名称：

  van Dijk,J.; Moed,H.D., Recueil des Travaux Chimiques des Pays-Bas, 1961, vol. 80, p. 573 - 587

  摘要：

  DOI：

文献信息

• Gabriel; Ohle, Chemische Berichte, 1917, vol. 50, p. 823
  作者：Gabriel、Ohle

  DOI：——

  日期：——
• Gabriel; v. Hirsch, Chemische Berichte, 1896, vol. 29, p. 2749
  作者：Gabriel、v. Hirsch

  DOI：——

  日期：——
• Synthesis and SAR of 2,3-diarylpyrrole inhibitors of parasite cGMP-dependent protein kinase as novel anticoccidial agents
  作者：Tesfaye Biftu、Dennis Feng、Mitree Ponpipom、Narindar Girotra、Gui-Bai Liang、Xiaoxia Qian、Robert Bugianesi、Joseph Simeone、Linda Chang、Anne Gurnett、Paul Liberator、Paula Dulski、Penny Sue Leavitt、Tami Crumley、Andrew Misura、Terence Murphy、Sandra Rattray、Samantha Samaras、Tamas Tamas、John Mathew、Christine Brown、Don Thompson、Dennis Schmatz、Michael Fisher、Matthew Wyvratt

  DOI：10.1016/j.bmcl.2005.04.060

  日期：2005.7

  Several analogs of 2,3-diaryl pyrroles were synthesized and evaluated as inhibitors of Eimeria tenella cGMP-dependent protein kinase and in. in vivo anticoccidial assays. A 4-fluorophenyl group enhances both in vitro and in Vivo activities. The most potent analogs are the-5-(N-methyl, N-ethyl, and N-methylazetidine methyl) piperidyl derivatives 12, 23, and 34. These compounds have a broad spectrum of activity. Based on the in vivo efficacy and cost of synthesis, the N-ethyl analog 23 was chosen as a novel anticoccidial agent for a field trial. (c) 2005 Elsevier Ltd. All rights reserved.
• van Dijk,J.; Moed,H.D., Recueil des Travaux Chimiques des Pays-Bas, 1961, vol. 80, p. 573 - 587
  作者：van Dijk,J.、Moed,H.D.

  DOI：——

  日期：——