N-isopropyl-3-methylbut-3-en-1-amine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N-isopropyl-3-methylbut-3-en-1-amine
• 英文别名: 3-methyl-N-propan-2-ylbut-3-en-1-amine
• 化学式: C₈H₁₇N
• 分子量: 127.23
• InChiKey: IOTODINQKFEGKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,3,3,-三氟-2-(三氟甲基)-1,2-氧化丙烯 、 N-isopropyl-3-methylbut-3-en-1-amine 反应 48.0h， 以71%的产率得到
  参考文献：
  名称：

  碱性地球络合物中​​的π配体

  摘要：

  pi ligands such as olefins and alkynes bind intramolecularly to the metal atom in d(0) complexes of the large alkaline earths (Ae) calcium and strontium supported by fluoroalkoxo ligands with dangling unsaturated C=C or C C bonds, and having the amide N(SiMe2H)(2)(-) as the coligand. These O-bridged dinuclear complexes are further stabilized by secondary C-F-->Ae and beta-Si-H center dot center dot center dot Ae interactions. In a set of structurally related Ca-olefin complexes, the strength of these interactions gradually increases as the coordination of the olefin onto Ca2+ becomes weaker (from eta(2)-coordinated to eta(1) to fully dissociated) upon increasing steric congestion, thus ensuring that over-whelming electronic depletion does not occur at calcium. NMR data imply that the olefins are metal-bound in [D-8]toluene solutions. The Ae center dot center dot center dot C-pi, C-F-->Ae, and beta-Si-H center dot center dot center dot Ae noncovalent interactions are also strong in the parent Ae-alkyne complexes, the first examples of non-acetylide Ae-alkynes compounds. Calcium-arene complexes could not be made, as the aromatic tether did not bind to the metal atom. Instead, a trinuclear complex with noninteracting C6H5 groups was obtained. It exhibits exceptionally strong C-F-->Ca and beta-Si-H center dot center dot center dot Ca interactions. NMR data indicate that the congeneric calcium-allene complex can be made, but it spontaneously isomerizes toward the more stable Ca-alkyne via an unusual 1,3-hydride shift intramolecular process.

  DOI：

  10.1021/acs.organomet.7b00006
• 作为产物：
  描述：

  3-甲基-3-丁烯-1-醇 、 异丙胺 在 N-溴代丁二酰亚胺(NBS) 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 1.27h， 生成 N-isopropyl-3-methylbut-3-en-1-amine
  参考文献：
  名称：

  碱性地球络合物中​​的π配体

  摘要：

  pi ligands such as olefins and alkynes bind intramolecularly to the metal atom in d(0) complexes of the large alkaline earths (Ae) calcium and strontium supported by fluoroalkoxo ligands with dangling unsaturated C=C or C C bonds, and having the amide N(SiMe2H)(2)(-) as the coligand. These O-bridged dinuclear complexes are further stabilized by secondary C-F-->Ae and beta-Si-H center dot center dot center dot Ae interactions. In a set of structurally related Ca-olefin complexes, the strength of these interactions gradually increases as the coordination of the olefin onto Ca2+ becomes weaker (from eta(2)-coordinated to eta(1) to fully dissociated) upon increasing steric congestion, thus ensuring that over-whelming electronic depletion does not occur at calcium. NMR data imply that the olefins are metal-bound in [D-8]toluene solutions. The Ae center dot center dot center dot C-pi, C-F-->Ae, and beta-Si-H center dot center dot center dot Ae noncovalent interactions are also strong in the parent Ae-alkyne complexes, the first examples of non-acetylide Ae-alkynes compounds. Calcium-arene complexes could not be made, as the aromatic tether did not bind to the metal atom. Instead, a trinuclear complex with noninteracting C6H5 groups was obtained. It exhibits exceptionally strong C-F-->Ca and beta-Si-H center dot center dot center dot Ca interactions. NMR data indicate that the congeneric calcium-allene complex can be made, but it spontaneously isomerizes toward the more stable Ca-alkyne via an unusual 1,3-hydride shift intramolecular process.

  DOI：

  10.1021/acs.organomet.7b00006

文献信息

• HPK1 INHIBITORS AND USES THEREOF
  申请人：QILU REGOR THERAPEUTICS INC.

  公开号：US20220389037A1

  公开（公告）日：2022-12-08

  Provided herein is a compound represented by structural formula (I-0) or formula (II): or a pharmaceutically acceptable salt or a stereoisomer thereof useful for treating diseases (such as cancer) that are treatable by inhibiting HPK1 activity.
• π Ligands in Alkaline Earth Complexes
  作者：Sorin-Claudiu Roşca、Elsa Caytan、Vincent Dorcet、Thierry Roisnel、Jean-François Carpentier、Yann Sarazin

  DOI：10.1021/acs.organomet.7b00006

  日期：2017.4.10

  pi ligands such as olefins and alkynes bind intramolecularly to the metal atom in d(0) complexes of the large alkaline earths (Ae) calcium and strontium supported by fluoroalkoxo ligands with dangling unsaturated C=C or C C bonds, and having the amide N(SiMe2H)(2)(-) as the coligand. These O-bridged dinuclear complexes are further stabilized by secondary C-F-->Ae and beta-Si-H center dot center dot center dot Ae interactions. In a set of structurally related Ca-olefin complexes, the strength of these interactions gradually increases as the coordination of the olefin onto Ca2+ becomes weaker (from eta(2)-coordinated to eta(1) to fully dissociated) upon increasing steric congestion, thus ensuring that over-whelming electronic depletion does not occur at calcium. NMR data imply that the olefins are metal-bound in [D-8]toluene solutions. The Ae center dot center dot center dot C-pi, C-F-->Ae, and beta-Si-H center dot center dot center dot Ae noncovalent interactions are also strong in the parent Ae-alkyne complexes, the first examples of non-acetylide Ae-alkynes compounds. Calcium-arene complexes could not be made, as the aromatic tether did not bind to the metal atom. Instead, a trinuclear complex with noninteracting C6H5 groups was obtained. It exhibits exceptionally strong C-F-->Ca and beta-Si-H center dot center dot center dot Ca interactions. NMR data indicate that the congeneric calcium-allene complex can be made, but it spontaneously isomerizes toward the more stable Ca-alkyne via an unusual 1,3-hydride shift intramolecular process.