| 162293-57-4

• CAS: 162293-57-4
• 化学式: C₁₇H₁₄BrN₂O₃Re
• 分子量: 560.421
• InChiKey: PFWRPFINDBPEBN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  、 苄胺 在 Me₃NO 、 MeCN 作用下， 以 二氯甲烷 为溶剂， 以74%的产率得到
  参考文献：
  名称：

  Successive Reactions of Rhenium Isocyanide Complexes with Nitrogen-Containing Ligands. One-Flask Conversion of ReBr(CO)4(CNPh) to [Re(CO)3(NH2R)2{C(NHPh)(NHR)}]+Br-

  摘要：

  The isocyanide complexes ReBr(CO)(4)(CNR) (1) react with Me(3)NO in CH2Cl2 to give ReBr(CO)(3)(CNR)(NMe(3)) (2). Treatment of 1 with Me(3)NO in the presence of CH3CN yields the nitrile derivatives ReBr(CO)(3)(CNR)(NCMe) (3). The latter on reaction with two-electron-donor ligands L (L = CO, PPh(3)) give ReBr(CO)(3)(CNR)L. Treatment of 3 with amines in CH2Cl2 leads to the formation of ReBr(CO)(3)(CNR)(NH(2)R') (5). When ReBr(CO)(3)(CNPh)(NCMe) (3a) is treated with excess amines in CH2Cl2 for a prolonged period, the diaminocarbene complexes ReBr(CO)(3)(NH(2)R){C(NHPh)(NHR)} (6) are formed. The latter then react with a further 1 equiv of amine to afford [Re(CO)(3)(NH(2)R)(2){C(NHPh)(NHR)}]Br-+(-) (7). A one-flask synthesis of 7 was achieved by the interaction of ReBr(CO)(4)(CNPh) with Me(3)NO in the presence of CH3CN followed by reaction with the desired amine in CH2Cl2 at ambient temperature. ReBr(CO)(3)(CNPh)(PPh(3)) (4a), ReBr(CO)(3)(NH2Pri){C(NHPh)(NHPri)} (6a), and [Re(CO)(3)(NH2Pri)(2){C(NHPh)(NHPri)}]Br-+(-) (7a) have been characterized by X-ray structure determination. 4a crystallizes in the triclinic space group P ($) over bar 1; a = 9.801(4) Angstrom, b = 11.190(5)Angstrom, c = 13.862(5)Angstrom, alpha = 91.49(3)degrees, beta = 108.19(3)degrees, gamma = 65.52(3)degrees, V = 1305.1(8)Angstrom(3), Z = 2, R = 3.1%, and R(w) = 3.5%. 6a gives monoclinic crystals, space group P2(1)/n; a = 9.174(2)Angstrom, b = 19.865(2)Angstrom, c = 12.064(2)Angstrom, beta = 112.264(2)degrees, V = 2034.6(6)Angstrom(3), Z = 4, R = 2.7%, and R(w) = 3.3%. 7a is monoclinic, space group P2(1)/n; a = 13.223(2)Angstrom, b = 10.726(3)Angstrom, c = 20.705(2)Angstrom, beta = 103.35(1)degrees, V = 2857.3(9)Angstrom(3), Z = 4, R = 4.8%, and R(w) = 5.0%.

  DOI：

  10.1021/om00002a045