Ta(2,6-diisopropylphenoxide)2Cl3 | 90719-25-8

• 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: Ta(2,6-diisopropylphenoxide)2Cl3
• 英文别名: Ta(OC6H3Pr(i)2-2,6)2Cl3；[TaCl3(2,6-di-isopropylphenoxide)2]
• CAS: 90719-25-8
• 化学式: C₂₄H₃₄Cl₃O₂Ta
• 分子量: 641.84
• InChiKey: JMRTXXOCXVZSCS-UHFFFAOYSA-I

计算性质

• 辛醇/水分配系数(LogP)：
  9.62
• 重原子数：
  30.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-(三甲基硅基)丙炔 、 Ta(2,6-diisopropylphenoxide)2Cl3 在 Na#Hg 作用下， 生成 (2,6-diisopropylphenoxide)2ClTaCSi(CH3)3CSi(CH3)3
  参考文献：
  名称：

  钽的反应性炔烃配合物及其金属环化化学：早期过渡金属进行炔烃环三聚的模型

  摘要：

  DOI：

  10.1021/om00099a031
• 作为产物：
  描述：

  lithium 2,6-diisopropylphenolate 、 五氯化钽 以 苯 为溶剂， 以80%的产率得到Ta(2,6-diisopropylphenoxide)2Cl3
  参考文献：
  名称：

  Chamberlain, Linda R.; Rothwell, Ian P.; Huffman, John C., Inorganic Chemistry, 1984, vol. 23, # 17, p. 2575 - 2578

  摘要：

  DOI：

文献信息

• Reaction pathways for the oligomerization of organic isocyanides by tantalum hydride reagents
  作者：Janet R. Clark、Phillip E. Fanwick、Ian P. Rothwell

  DOI：10.1039/c39930001233

  日期：——

  The tantalum monohydride compound [Ta(OAr)2Cl2(H)(PMe2Ph)2](OAr = 2,6-diisopropylphenoxide) will react with one, two or three equivalents or organic isocyanides to produce a sequence of organometallic products resulting from initial insertion into the Ta–H bond and subsequent coupling reactions.

  单氢化钽化合物[Ta(OAr)2Cl2(H)(PMe2Ph)2]（OAr = 2,6-二异丙基苯氧基）将与一个、两个或三个当量的有机异氰酸酯反应，产生一系列有机金属产品，这些产品是由于初始插入Ta–H键和随后偶联反应所致。
• Reactions of Alkynes and Olefins with Tantalum Hydrides Containing Aryloxide Ancillary Ligation:  Relevance to Catalytic Hydrogenation
  作者：Douglas R. Mulford、Janet R. Clark、Scott W. Schweiger、Phillip E. Fanwick、Ian P. Rothwell

  DOI：10.1021/om990664l

  日期：1999.10.1

  [Ta(OC6H3Ph2-2,6)2(H)2Cl(PMe3)2] (1), [Ta(OC6H3Pri2-2,6)2(H)2Cl(PMe2Ph)2] (2), and [Ta(OC6H3But2-2,6)2(H)2Cl(PMePh2)] (3) toward olefins and alkynes has been investigated. The reactivity observed is highly dependent on the nature of the ancillary aryloxide ligands. The 2,6-diphenylphenoxide 1 reacts with styrene to produce 1 equiv of ethylbenzene and the styrene adduct [Ta(OC6H3Ph2-2,6)2(η2-CH2CHPh)Cl(PMe3)]

  三种氢化物的反应性[TA（OC 6 H 3 Ph 2 -2,6）2（H）2 Cl（PMe 3）2 ]（1），[TA（OC 6 H 3 Pr i 2 -2， 6）2（H）2 Cl（PMe 2 Ph）2 ]（2）和[TA（OC 6 H 3 Bu t 2 -2,6）2（H）2 Cl（PMePh 2）]（3已经研究了针对烯烃和炔烃的）。观察到的反应性高度依赖于辅助芳氧基配体的性质。2,6- diphenylphenoxide 1种发生反应与苯乙烯制备乙苯的1个当量和苯乙烯的加合物[TA（OC 6 H ^ 3博士2 -2,6）2（η 2 -CH 2 CHPh配合）氯（PME 3）] （ 5）。相反，1与3-己炔反应以消除H 2以及类似炔烃配合物6的形成。5和6的结构研究显示出具有沿Cl-TA-P轴分布的轴向烯烃（炔）单元的方锥几何结构。结构参数为这些分子提供了一个塔拉塔环丙烷（TAnTAlacyclopropene）键合图。化合物5在H
• The isolation and chemistry of niobium and tantalum dimethylamides containing mono- and di-aryloxide ancillary ligands
  作者：Scott W. Schweiger、Dana L. Tillison、Matt G. Thorn、Phillip E. Fanwick、Ian P. Rothwell

  DOI：10.1039/b101723n

  日期：——

  The salt complex [Me2NH2][Ta(NMe2)2Cl4] 4 has been isolated from the reaction of [Ta2Cl10] with Me2NH and the anion shown to contain mutually cis-dimethylamido ligands. 4 reacts with Me2NH and pyridine to produce the neutral adducts mer,cis-[Ta(NMe2)2Cl3(HNMe2)] 1 (known compound) and [Ta(NMe2)2Cl3(py)] 5. The solid state structure of [Ta(NMe2)2Cl3(py-4Ph)] 7 shows a mer,cis arrangement of Cl and NMe2 groups. The addition of 2,3,5,6-tetraphenyl- or 2,6-di-isopropyl-phenol (2 equiv) to solutions of 1 in benzene was found to produce a mixture of two isomers each containing a residual Ta–NMe2 and Ta–NHMe2 group. These were formulated as [Ta(OAr)2Cl2(NMe2)(NHMe2)] with the coordinated amine trans to the Ta–NMe2 group and aryloxide ligands either mutually cis or trans. The cis isomer was found to thermally convert to the trans form. The trans isomers [M(OAr)2Cl2(NMe2)(NHMe2)] (M = Ta, OAr = 2,3,5,6-tetraphenyl- or 2,6-di-isopropyl-phenoxide; M = Nb, OAr = 2,3,5,6-tetraphenylphenoxide) are obtained in high yield by treatment of the corresponding tri(chlorides) [M(OAr)2Cl3] with excess Me2NH. The isomorphous/isostructural compounds [M(OC6HPh4-2,3,5,6)2Cl2(NMe2)(py)] (M = Nb, Ta) were structurally characterized and shown to contain the pyridine ligand trans to the Ta–NMe2 group with mutually trans aryloxides. Addition of 2,2′-methylenebis(6-phenylphenol) (HOC6H3Ph)2CH2} to 1 resulted in formation of the compound [Ta(OC6H3Ph)2CH2}Cl2(NMe2)(HNMe2)] 15. The solid state structure of 15 shows the nitrogen atoms to be mutually trans with cis aryloxide oxygen atoms. The eight-membered dioxametallacycle ring is puckered with the methylene bridge folded up towards the Ta–NMe2 group. The reaction pathways leading to these products are discussed.

  盐复合物[Me2NH2][Ta(NMe2)2Cl4] 4是通过[Ta2Cl10]与Me2NH反应获得的，阴离子显示出含有互为顺式的二甲基氨基配体。4与Me2NH和吡啶反应生成中性加合物mer,cis-[Ta(NMe2)2Cl3(HNMe2)] 1（已知化合物）和[Ta(NMe2)2Cl3(py)] 5。[Ta(NMe2)2Cl3(py-4Ph)] 7的固态结构显示Cl和NMe2基团呈现mer,cis排列。向1的苯溶液中添加2,3,5,6-四苯基或2,6-二异丙基苯酚（2当量）会生成两种异构体的混合物，每种异构体都包含残余的Ta–NMe2和Ta–NHMe2基团。这些化合物被表征为[Ta(OAr)2Cl2(NMe2)(NHMe2)]，其中配位的胺基与Ta–NMe2基团呈反式排列，芳氧配体则是互为顺式或反式。发现cis异构体能够热转化为trans形式。通过用过量的Me2NH处理相应的三氯化物[M(OAr)2Cl3]，可以高产率得到反式异构体[M(OAr)2Cl2(NMe2)(NHMe2)]（M=Ta，OAr=2,3,5,6-四苯基-或2,6-二异丙基苯氧化物；M=Nb，OAr=2,3,5,6-四苯基苯氧化物）。同构/同构结构化合物[M(OC6HPh4-2,3,5,6)2Cl2(NMe2)(py)]（M=Nb，Ta）经过结构表征，显示吡啶配体与Ta–NMe2基团呈反式排列，芳氧配体互为反式。将2,2′-亚甲基双（6-苯基酚）(HOC6H3Ph)2CH2}添加到1中，最终形成化合物[Ta(OC6H3Ph)2CH2}Cl2(NMe2)(HNMe2)] 15。15的固态结构显示氮原子互为反式，而顺式芳氧的氧原子互为顺式。八元的二氧金属环呈现皱缩，亚甲基桥折叠向Ta–NMe2基团。讨论了通向这些产物的反应路径。
• Paramagnetic organometallics: preparation, structural, and redox chemistry of tantalum(<scp>II</scp>)η⁶-arene complexes
  作者：Pamela A. Wexler、David E. Wigley

  DOI：10.1039/c39890000664

  日期：——

  The reduction of (η6-C6R6)Ta(OR′)2Cl [(1) R = Et; (2) R = Me; OR′= 2,6-diisopropylphenoxide] with excess Na/Hg provides the first well characterised TaII organometallics, viz. the monomeric compounds (η6-C6R6)Ta(OR′)2[(3) R = Et; (4) R = Me]; the X-ray structure of (η6-C6Et6)Ta (O-2,6-Pri2C6H3)2(3), reveals some unusual distortions in the co-ordinated arene ligand.

  的减少（η 6 -C 6 - [R 6）的Ta（OR'）2氯[（1）R =的Et; （2）R =我；具有过量的Na / Hg的OR'＝ 2，6-二异丙基苯氧基]提供了第一个良好表征的Ta II有机金属，即。单体化合物（η 6 -C 6 - [R 6）的Ta（OR'）2 [（3）R =的Et; （4）R =我]；的X的（η射线结构6 -C 6的Et 6）的Ta（O-2,6-PR我2 ç 6 ħ 3）2（3）揭示了配位的芳烃配体中的一些异常变形。
• Chamberlain, Linda R.; Rothwell, Arlene P.; Rothwell, Ian P., Journal of the American Chemical Society, 1984, vol. 106, p. 1847 - 1848
  作者：Chamberlain, Linda R.、Rothwell, Arlene P.、Rothwell, Ian P.

  DOI：——

  日期：——