1,9-bis(N,N-dimethylaminomethyl)diphenyldipyrrolylmethane | 1242271-39-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,9-bis(N,N-dimethylaminomethyl)diphenyldipyrrolylmethane
• 英文别名: 1,9-bis(N,N-dimethylaminomethyl)-5,5'-diphenyldipyrromethane；1-[5-[[5-[(dimethylamino)methyl]-1H-pyrrol-2-yl]-diphenylmethyl]-1H-pyrrol-2-yl]-N,N-dimethylmethanamine
• CAS: 1242271-39-1
• 化学式: C₂₇H₃₂N₄
• 分子量: 412.578
• InChiKey: FLMVDRLPFYVORO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  38.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,9-bis(N,N-dimethylaminomethyl)diphenyldipyrrolylmethane 在 四丁基硫酸氢铵 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 反应 0.25h， 以87%的产率得到
  参考文献：
  名称：

  Macrocyclic and Acyclic Molecules Synthesized from Dipyrrolylmethanes: Receptors for Anions

  摘要：

  A new class of macrocyclic and acyclic molecules was synthesized by the Mannich reactions of dipyrrolylmethanes to investigate anion recognition. The X-ray structures of the macrocycle and sulfate complexes are reported.

  DOI：

  10.1021/ol101598e
• 作为产物：
  描述：

  聚合甲醛 、 diphenyldipyrrol-2-ylmethane 、 盐酸二甲胺 以 四氢呋喃 、 乙醇 为溶剂， 以72%的产率得到1,9-bis(N,N-dimethylaminomethyl)diphenyldipyrrolylmethane
  参考文献：
  名称：

  Macrocyclic and Acyclic Molecules Synthesized from Dipyrrolylmethanes: Receptors for Anions

  摘要：

  A new class of macrocyclic and acyclic molecules was synthesized by the Mannich reactions of dipyrrolylmethanes to investigate anion recognition. The X-ray structures of the macrocycle and sulfate complexes are reported.

  DOI：

  10.1021/ol101598e

文献信息

• Synthesis of di- and trinuclear zinc complexes bearing pyrrole-based ligands and their catalysis toward the ROP of rac-lactides
  作者：Xiang-Xin Zheng、Zhong-Xia Wang

  DOI：10.1016/j.jorganchem.2016.09.002

  日期：2016.11

  formaldehyde and amines. Treatment of 2a with 3 equiv. of ZnEt2 in toluene afforded trinuclear zinc conplex 3a, while respective reaction of 2b-2e with 3 equiv. of ZnEt2 in toluene or THF produced dinuclear zinc complexes 3b-3e. Each of the complexes was characterized by 1H and 13C NMR spectroscopy and elemental analysis. Structures of complexes 3a and 3b were additionally characterized by single crystal X-ray

  二（aminomethylpyrrolyl）甲烷衍生物[2- 5-R' 2 NCH 2（C 4 H ^ 2 NH）}] 2 CR 2（图2a R =的Et，R'=甲基;图2b R = PH，R'=甲基; 2c R = Ph，R'= Et; 2d R 2  = 1,1'-联苯-2,2'-二基，R'= Me; 2e R 2  = 1,1'-联苯-2,2'-二基，R' 2  =（CH 2）4）通过二的反应（1制备ħ甲烷衍生物-吡咯-2-基）（2-C 4 H ^ 3 NH）2 CR 2（1a R = Et；1b R = Ph；1c R 2  = 1,1'-联苯-2,2'-二基），含甲醛和胺。用3当量治疗2a。甲苯中的ZnEt 2生成三核锌配合物3a，而2b - 2e分别与3当量反应。ZnEt 2在甲苯或THF中的生成双核锌配合物3b - 3e。每种配合物的特征在于1 H和13 C NMR光谱学和
• Pyrrole-Based New Diphosphines: Pd and Ni Complexes Bearing the PNP Pincer Ligand
  作者：Shanish Kumar、Ganesan Mani、Sukanta Mondal、Pratim Kumar Chattaraj

  DOI：10.1021/ic301967r

  日期：2012.11.19

  formation of complex 12 is solvent dependent, which transforms into complex 10 in CDCl3 as studied by variable temperature 1H and 31P NMR methods. Treatment of 2 with [Ni(OAc)2]·4H2O gave the mononuclear Ni(II) pincer complex [Ni(OAc)C4H2N-2,5-(CH2PPh2)2-κ3PNP}], 13, which upon treatment with an excess of LiCl or LiBr or KI afforded the respective halide ion substituted Ni(II) complexes, [NiXC4H2N-2

  通过Ph 2 PH与2,5-双（二甲基氨基甲基）吡咯的反应合成了新型的二膦PNP钳型配体2,5-双（二苯基膦甲基）吡咯2，产率为90％。Ph 2 PH与1，9-双（二甲基氨基甲基）二苯基二吡咯基甲烷的类似反应容易地以92％的收率得到PNNP型二膦配体，1，9-双（二苯基膦甲基）二苯基二吡咯基甲烷5。这些膦化合物被H 2 O 2和S 8氧化，以非常好的收率得到相应的磷酰基和硫代磷酰基化合物6 – 9。PNP夹钳配体2的反应与[的PdCl 2（PHCN）2 ]中的的Et存在下3 Ñ得到单核的Pd（II）配合物，[的PdClÇ 4 ħ 2的N- 2,5-（CH 2 PPH 2）2 -κ 3 PNP } ] 10产率为87％。相反，治疗的2与[的PdCl 2（PHCN）2 ]在没有的Et 3 Ñ得到双核的Pd（II）配合物[钯2氯4 μ-C 4 H ^ 3的N- 2,5-（CH 2 PPH 2）2
• Dipyrromethane–diphosphine: the effect of <i>meso</i> substituents on the formation of nickel complexes and on their performance in the transfer hydrogenation of ketones
  作者：Rohit Gupta、Ashok Kumar、Ganesan Mani

  DOI：10.1039/d3dt03163b

  日期：——

  base and a chelated complex of type 2a. In addition, all three ligands react with [NiCl2(DME)] in the presence of a strong base to give a complex of type 3. Furthermore, a novel binuclear Ni(0) complex bearing L1H2 was characterized by X-ray crystallography. Both complexes 2a and 3 (0.5 mol% of loading) catalyze the transfer hydrogenation of a series of aromatic and aliphatic ketones (20 substrates) to

  合成了三种在其内消旋位置含有苯基（ L1H2 ）、乙基（ L2H2 ）和环己基（ L3H2 ）基团的二吡咯甲烷-二膦配体及其镍配合物，并进行了结构表征。用 [NiCl 2 (DME)] 处理 Ph 2 C(C 4 H 3 N) 2 -1,9-(CH 2 PPh 2 ) 2 ( L1H2 ) 得到络合物 [NiCl 2 (κ 2 - P , P - L1H2 ) )] 2a 。相反， L2H2和L3H2与 [NiCl 2 (DME)] 的类似反应显示产物混合物含有 [Ni(κ 4 - P , N , N , P - L )] 3型吡咯氮配位络合物，但不含外源碱和2a型螯合复合物。此外，所有三种配体在强碱存在下都与[NiCl 2 (DME)]反应，得到3型配合物。此外，还通过 X 射线晶体学对一种新型双核 Ni(0) 配合物L1H2进行了表征。配合物2a和3 (0.5 mol% 的负载）使用i
• Macrocyclic and Acyclic Molecules Synthesized from Dipyrrolylmethanes: Receptors for Anions
  作者：Ganesan Mani、Tapas Guchhait、Rajnish Kumar、Shanish Kumar

  DOI：10.1021/ol101598e

  日期：2010.9.3

  A new class of macrocyclic and acyclic molecules was synthesized by the Mannich reactions of dipyrrolylmethanes to investigate anion recognition. The X-ray structures of the macrocycle and sulfate complexes are reported.