5-tert-butyl-2-[(2,6-diisopropylphenyl)aldimino]pyrrole | 443890-22-0

• 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: 5-tert-butyl-2-[(2,6-diisopropylphenyl)aldimino]pyrrole
• 英文别名: N-(2,6-bis(isopropyl)phenyl)-5-tert-butylpyrrolylaldimine；2-(2,6-(i-Pr)2C6H3N=CH)-5-(t-Bu)C4H2NH；2-(2,6-iPr2C6H3NCH)-5-tBuC4H2N；N-[[5-(1,1-Dimethylethyl)-1H-pyrrol-2-yl]methylene]-2,6-bis(1-methylethyl)benzenamine；1-(5-tert-butyl-1H-pyrrol-2-yl)-N-[2,6-di(propan-2-yl)phenyl]methanimine
• CAS: 443890-22-0
• 化学式: C₂₁H₃₀N₂
• 分子量: 310.483
• InChiKey: NDSQPHPTPWCHNM-UHFFFAOYSA-N

物化性质

• 沸点：
  464.9±45.0 °C(Predicted)
• 密度：
  0.96±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  28.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-tert-butyl-2-[(2,6-diisopropylphenyl)aldimino]pyrrole 在 KH 作用下， 以 四氢呋喃 为溶剂， 生成 [2-(2,6-(i)Pr2C6H3N=CH)-5-(t)BuC4H2N]2Sm
  参考文献：
  名称：

  2-（N -Arylimino）吡咯化物配体的单体和线性聚合物Sa（II）配合物

  摘要：

  描述了由（亚氨基）吡咯化物配体支撑的单体和线性聚合物二价sa配合物及其相关的三价物种的合成和结构表征。二价钐2-（Ñ -arylamino）吡咯络合物[NN] 2的Sm（THF）2（1）通过SMI的反应来制备2（THF）2与2当量的[NN] K（[NN] = [在THF中的2-（2，6 - i Pr 2 C 6 H 3 N ＝ CH）-5- t BuC 4 H 2 N] -）。处理后的1用干燥的氧气生成氧桥联二聚体[NN] 2 Sm（μ-O）Sm [NN] 2（2）。的反应[NN] 2 SmCH 2森达3（3）用3当量的ALET 3在Ñ己烷，得到钐铝酸盐[NN] 2的Sm（μ-ET）2 ALET 2（4）。用甲苯中的钾还原4可以得到线性聚合物种{[NN] 2 SmAlEt 4 K（C 7 H 8）} n（5）。化合物1，2，4，和5的特点是透视单晶分析。5特征的线性聚合物结构，其中所述钾离子链接相邻单体钐部分经由η

  DOI：

  10.1021/om9001236

文献信息

• Synthesis and Characterization of Heterobimetallic Oxo-Bridged Aluminum–Rare Earth Metal Complexes
  作者：Jingjun Hao、Jianfeng Li、Chunming Cui、Herbert W. Roesky

  DOI：10.1021/ic2010584

  日期：2011.8.15

  the aluminum hydroxide LAl(OH)[C(Ph)CH(Ph)] (1, L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3) with Y(CH2SiMe3)3(THF)2 yielded the oxo-bridged heterobimetallic yttrium dialkyl complex LAl[C(Ph)CH(Ph)](μ–O)Y(CH2SiMe3)2(THF)2 (2). Alkane elimination reaction of 2 with 2-(imino)pyrrole [NN]H ([NN]H = 2-(ArN═CH)-5-tBuC4H2NH) afforded the yttrium monoalkyl complex LAl[C(Ph)CH(Ph)] (μ–O)Y(CH2SiMe3)[NN](THF)2 (5)

  氢氧化铝LAl（OH）[C（Ph）CH（Ph）]（1，L = HC [（CMe）（NAr）] 2，Ar = 2,6- i Pr 2 C 6 H 3）与Y（CH 2 SiMe 3）3（THF）2生成氧桥联异双金属钇二烷基络合物LAl [C（Ph）CH（Ph）]（μ-O）Y（CH 2 SiMe 3）2（THF）2（2）。2与2-（亚氨基）吡咯[NN] H的烷烃消除反应（[NN] H = 2-（ArN═CH）-5- t BuC 4 H 2NH）得到钇单烷基络合物LAl [C（Ph）CH（Ph）]（μO）Y（CH 2 SiMe 3）[NN]（THF）2（5）。或者，可以通过使1与[NN] Y（CH 2 SiMe 3）2（THF）2（3）反应来高产率地制备5。类似地制备了类似的alkyl烷基络合物LAl [C（Ph）CH（Ph）]（μO）Sm（CH 2 SiMe 3）[NN]（THF）2（6）。的反
• Syntheses and Reactions of Derivatives of (Pyrrolylaldiminato)germanium(II) and -Aluminum(III)
  作者：Ying Yang、Na Zhao、Hongping Zhu、Herbert W. Roesky

  DOI：10.1021/om201252k

  日期：2012.3.12

  (Pyrrolylaldiminato)germanium(II) chloride, LGeCl (1), was prepared by reacting LLi (L = 2-(ArN═CH)-5-tBuC4H2N; Ar = 2,6-iPr2C6H3) with 1 equiv of GeCl2·(dioxane). Treatment of LGeCl (1) with KOtBu or LiN(H)Ar yielded LGeR (R = OtBu (2), N(H)Ar (3)) by halide metathesis. (Pyrrolylaldiminato)methylaluminum chloride, LAlMe(Cl) (4), was obtained from the reaction of LLi and MeAlCl2 or by treating LH with

  通过使LLi（L = 2-（ArN═CH）-5- t BuC 4 H 2 N; Ar = 2,6- i Pr 2 C 6（L = 2-（ArN = CH）-5- t）反应制得（吡咯烷基二氨基）氯化锗（II）LGeCl（1）H 3）与1当量的GeCl 2 ·（二恶烷）。用KO t Bu或LiN（H）Ar处理LGeCl（1），通过卤化物复分解产生LGeR（R = O t Bu（2），N（H）Ar（3））。（PyrrolyLAldiminato）methyLAluminum chloride，LAlMe（Cl）（4），是由LLi和MeAlCl 2反应或通过用Me 2处理LH而获得的甲苯中的AlCl。在-18°C下用Me 2 AlCl或AlCl 3在Et 2 O中处理LH分别得到1：1的加合物LH·AlMe 2 Cl（5）和LH·AlCl 3（5）。4与2当量的LiNEt 2的进一步反应导致NEt
• Syntheses and X-ray structures of some pyrrolylaldiminate metal complexes
  作者：Lan-Chang Liang、Chih-Wei Yang、Michael Y. Chiang、Chen-Hsiung Hung、Pei-Ying Lee

  DOI：10.1016/s0022-328x(03)00555-2

  日期：2003.8

  Several pyrrolylaldiminate complexes of Group 1, 4 and 13 metals are reported. The reaction of 5-tert-butyl-2-[(2,6-diisopropylphenyl)aldimino]pyrrole (HL) with NaH produced LNa(THF) (1). In situ lithiation of HL followed by addition of one equivalent of MClx (M = Zr, x = 4; M = Hf, x = 4, M = Al, x = 3) afforded the corresponding pyrrolylaldiminate complexes, MLCl2(mu-Cl)(2)Li(OEt2)(2) (M = Zr, 3; Hf, 4) and AlLCl2 (5). Alkylation of 5 with MeMgBr generated AILMe(2) (6). In addition to the spectroscopic data, complexes 3-6 were characterized by X-ray crystallography. (C) 2003 Elsevier B.V. All rights reserved.
• Pyrrolylaldiminato Complexes of Zn, Mg and Al
  作者：Haijun Hao、Sonali Bhandari、Yuqiang Ding、Herbert W. Roesky、Jörg Magull、Hans-Georg Schmidt、Mathias Noltemeyer、Chunming Cui

  DOI：10.1002/1099-0682(200205)2002:5<1060::aid-ejic1060>3.0.co;2-5

  日期：2002.5
• Highly Isospecific Polymerization of Methyl Methacrylate with a Bis(pyrrolylaldiminato)samarium Hydrocarbyl Complex
  作者：Chunming Cui、Alexandr Shafir、Craig L. Reeder、John Arnold

  DOI：10.1021/om030454f

  日期：2003.8.1

  New types of samarium alkyl complexes, L-2-SmMe (THF) (2) and L2SmCH2SiMe3(THF) (3), supported by the pyrrolylaldiminato ligand L (L = [2-(2,6-iPr(2)C(6)H(3)N=CH)-5-tBuC(4)H(2)N](-)), were prepared from the corresponding chloride L2SmCl(THF) (1) with the appropriate alkyllithium reagents; the corresponding yttrium alkyl L2YCH2SiMe3 (4) was prepared similarly. The molecular structures of 1 and 3 were determined by X-ray single-crystal analyses. Compound 3 initializes the stereospecific polymerization of MMA to yield highly isotactic PMMA (mm triad 94.8%) with high molecular weight and narrow molecular distribution at room temperature while 2 is inactive. The possible initial step of the polymerization reaction was proposed.