[(Ni(N,N'-diethyl-3,7-diazanonane-1,9-dithiolate))2Ni][NiBr4] | 1110647-98-7

• 英文名称: [(Ni(N,N'-diethyl-3,7-diazanonane-1,9-dithiolate))2Ni][NiBr4]
• CAS: 1110647-98-7
• 化学式: Br₄Ni*C₂₂H₄₈N₄Ni₃S₄
• 分子量: 1051.29
• InChiKey: GXIBLTUGHIPNTM-UHFFFAOYSA-F

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

• 作为反应物：
  描述：

  [(Ni(N,N'-diethyl-3,7-diazanonane-1,9-dithiolate))2Ni][NiBr4] 以 氘代甲醇 为溶剂， 生成 [Ni(N,N'-diethyl-3,7-diazanonane-1,9-dithiolate)NiBr2
  参考文献：
  名称：

  Structural Models for the Active Site of Acetyl-CoA Synthase: Synthesis of Dinuclear Nickel Complexes Having Thiolate, Isocyanide, and Thiourea on the Ni_p Site

  摘要：

  The trinuclear nickel complex [{Ni(dadt(Et))}(2)Ni](NiBr4) (dadt(Et) = N,N'-diethyl-3,7-diazanonane-1,9-dithiolate) (1a), prepared by the reaction of Ni(dadt(Et)) and Ni(EtOH)(4)Br-2, was found to serve as a useful synthetic precursor of various dinuclear nickel complexes modeling the active site of acetyl-CoA synthase (ACS). The reactions of la with 4 equiv of the potassium salts of arenethiolates in ethanol produced a series of dinuclear nickel thiolate complexes Ni(dadt(Et))Ni(SAr)(2) (At = Ph (2a), p-Tol (2b), 2,4,6-triisopropylphenyl (Tip) (2c)) in good yields. The analogous reactions of la with Ag(OTf) in the presence of (BuNC)-Bu-t and (NMe2)(2)CS (tmtu) generated the dicationic dinuclear nickel complexes [Ni(dadt(Et))Ni((BuNC)-Bu-t)(2)](OTf)(2) (3) and [Ni(dadt(Et))Ni(tmtu)(2)](OTf)(2) (4), respectively. The molecular structures of la, 2a-c, 3, and 4 determined by X-ray analysis compare well with that of A-cluster in ACS.

  DOI：

  10.1021/ic801967e
• 作为产物：
  描述：

  (N,N'-diethyl-3,7-diazanonane-1,9-dithiolato)nickel(II) 、 Ni(EtOH)4Br2 以 乙醇 为溶剂， 以83%的产率得到[(Ni(N,N'-diethyl-3,7-diazanonane-1,9-dithiolate))2Ni][NiBr4]
  参考文献：
  名称：

  Structural Models for the Active Site of Acetyl-CoA Synthase: Synthesis of Dinuclear Nickel Complexes Having Thiolate, Isocyanide, and Thiourea on the Ni_p Site

  摘要：

  The trinuclear nickel complex [{Ni(dadt(Et))}(2)Ni](NiBr4) (dadt(Et) = N,N'-diethyl-3,7-diazanonane-1,9-dithiolate) (1a), prepared by the reaction of Ni(dadt(Et)) and Ni(EtOH)(4)Br-2, was found to serve as a useful synthetic precursor of various dinuclear nickel complexes modeling the active site of acetyl-CoA synthase (ACS). The reactions of la with 4 equiv of the potassium salts of arenethiolates in ethanol produced a series of dinuclear nickel thiolate complexes Ni(dadt(Et))Ni(SAr)(2) (At = Ph (2a), p-Tol (2b), 2,4,6-triisopropylphenyl (Tip) (2c)) in good yields. The analogous reactions of la with Ag(OTf) in the presence of (BuNC)-Bu-t and (NMe2)(2)CS (tmtu) generated the dicationic dinuclear nickel complexes [Ni(dadt(Et))Ni((BuNC)-Bu-t)(2)](OTf)(2) (3) and [Ni(dadt(Et))Ni(tmtu)(2)](OTf)(2) (4), respectively. The molecular structures of la, 2a-c, 3, and 4 determined by X-ray analysis compare well with that of A-cluster in ACS.

  DOI：

  10.1021/ic801967e