2-甲基苯酚锂 | 83859-26-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-甲基苯酚锂
• 英文名称: lithium 2-methylphenolate
• 英文别名: lithium 2-methylphenoxide；lithium o-methylphenoxide；lithium;2-methylphenolate
• CAS: 83859-26-1
• 化学式: C₇H₇O*Li
• 分子量: 114.073
• InChiKey: WXFJHGBPLFDLAC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.93
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  23.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  P-chloro-N-(2,4,6-tri-tert-butylphenyl)-λ³-iminophosphine 、 2-甲基苯酚锂 生成 2-methylphenyl ester of N-<2,4,6-tri(tert-butyl)phenyl>imidophosphenous acid
  参考文献：
  名称：

  Markovsky, L. N.; Romanenko, V. D.; Ruban, A. V., Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 49/50, p. 329 - 332

  摘要：

  DOI：
• 作为产物：
  描述：

  邻甲酚 、 正丁基锂 生成 2-甲基苯酚锂
  参考文献：
  名称：

  HAHN, H.;TOIFL, E.;MEINDL, W.;UTVARY, K., MONATSCH. CHEM., 1984, 115, N 8-9, 881-897

  摘要：

  DOI：

文献信息

• New d⁴dihydrides of Ru(<scp>iv</scp>) and Os(<scp>iv</scp>) with π-donor ligands: M(H)₂(chelate)(PⁱPr₃)₂with chelate = ortho-XYC₆H₄with X, Y = O, NR; R = H or CH₃
  作者：German Ferrando-Miguel、Peng Wu、John C. Huffman、Kenneth G. Caulton

  DOI：10.1039/b411487f

  日期：——

  into the OsH sites. Triflic acid protonates Os(H)2[N(Me)C6H4NH]L2 at the metal to give a trihydride. Catechol protonates Os(H)2[N(Me)C6H4NH]L2 to displace the ortho-diamine to give Os(H)2(OC6H4O)L2. The collective evidence is consistent with a dianionic, not a quinoid oxidation state for the chelate ligands and a d4, six-coordinate potential energy surface, often with low barriers between alternative non-octahedral

  Ru（H）2（邻-OC 6 H 4 E）L 2 （L = P i Pr 3，E = NH，O）的合成和表征表明它们是具有非八面体结构的二氢化物。前一种化合物与H 2反应生成Ru（H）3（OC 6 H 4 NH 2）L 2，具有氢化t BuHC CH 2的能力。analog类似物可从Os（H）3 ClL 2获得，单N-甲基实例Os（H）2[N（Me）C 6 H 4 NH] L 2显示不等价氢化物 经过 1 H NMR在20°C下。与D 2交换进入NH位置的速度比进入OsH交换的速度快。三氟甲磺酸使金属上的Os（H）2 [N（Me）C 6 H 4 NH] L 2质子化，得到三氢化物。儿茶酚质子化Os（H）2 [N（Me）C 6 H 4 NH] L 2取代邻二胺，得到Os（H）2（OC 6 H 4 O）L 2。集体证据与螯合物的二价阴离子相一致，而不是醌型氧化相一致配体和ad 4，六坐标势能面，
• Regio- and Enantioselective Iridium-Catalyzed Intermolecular Allylic Etherification of Achiral Allylic Carbonates with Phenoxides
  作者：Fernando López、Toshimichi Ohmura、John F. Hartwig

  DOI：10.1021/ja029790y

  日期：2003.3.1

  An enantioselective and regioselective iridium-catalyzed allylic etherification is described. The reaction of sodium and lithium aryloxides with achiral (E)-cinnamyl and terminal aliphatic allylic electrophiles in the presence of 2 mol % of an iridium-phosphoramidite complex provides chiral allylic aryl ethers in high yields and excellent levels of regio- and enantioselectivity. Lithium aryloxides

  描述了对映选择性和区域选择性铱催化的烯丙基醚化。钠和锂芳基氧化物与非手性 (E)-肉桂基和末端脂肪族烯丙基亲电试剂在 2 mol% 的铱-亚磷酰胺络合物存在下反应，以高产率和出色的区域和对映选择性提供手性烯丙基芳基醚。在邻位、间位或对位包含单个取代基的芳基氧化锂以及位阻酚盐是可以接受的。THF 中的反应显示出最合适的速率、区域和对映选择性平衡。也观察到来自烷基 (E)-烯丙基碳酸酯反应的产物的高 ee。
• The cocondensation reaction of lithium atoms and anisole: an experimental and theoretical study of the reaction pathway
  作者：Oscar Mendoza、Laurence P. Cuffe、Franz-Josef K. Rehmann、Matthias Tacke

  DOI：10.1016/j.jorganchem.2004.12.016

  日期：2005.3

  The cocondensation reaction of lithium atoms and pure anisole leads to an ortho CH activation and the formation of lithium hydride. This simple two-component system allows the investigation of the reaction mechanism with included donor molecules. Therefore two anisole and one dilithium molecule, which was identified in an earlier spectroscopic study, were considered for the reaction pathway calculations

  锂原子与纯茴香醚的缩聚反应导致邻位CH活化并形成氢化锂。这种简单的两组分系统允许研究包含供体分子的反应机理。因此，在较早的光谱研究中鉴定出的两个茴香醚和一个二锂分子被认为是反应路径的计算方法。
• Enantioselective amination and etherification
  申请人：Hartwig F John

  公开号：US20060199728A1

  公开（公告）日：2006-09-07

  The present invention is directed to a catalyst composition, comprising: (1) a catalyst precursor having the general structure MSX n wherein M is a transition metal selected from the group consisting of iridium, molybdenum, and tungsten; S is a coordinating ligand; X is a counterion; and n is an integer from 0 to 5; and (2) a phosphoramidite ligand having the structure wherein O—C n —O is an aliphatic or aromatic diolate and wherein R 1 , R 2 , R 3 and R 4 are selected from the group consisting of substituted or unsubstituted aryl groups, substituted or unsubstituted heteroaryl groups, substituted or unsubstituted aliphatic groups, and combinations thereof, with the proviso that at least one of R 1 , R 2 , R 3 , or R 4 must be a substituted or unsubstituted aryl or heteroaryl group. The present invention is also directed to activated catalysts made from the above catalyst composition, as well as methods of allylic amination and etherification using the above catalysts.

  本发明涉及一种催化剂组合物，包括：（1）具有一般结构MSXn的催化剂前体，其中M是从铱、钼和钨组成的过渡金属中选择的；S是一个配位配体；X是一个计数离子；n是从0到5的整数；以及（2）具有以下结构的磷酰胺配体，其中O-Cn-O是脂肪族或芳香族二醇，其中R1、R2、R3和R4选自取代或未取代的芳基基团、取代或未取代的杂环基团、取代或未取代的脂肪基团和它们的组合，但至少有一个R1、R2、R3或R4必须是取代或未取代的芳基或杂环基团。本发明还涉及由上述催化剂组合物制备的活性催化剂，以及使用上述催化剂进行烯丙基胺化和醚化的方法。
• TRANSITION METAL COMPLEX
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20150105572A1

  公开（公告）日：2015-04-16

  Disclosed is transition metal complex that serves as a catalytic component with which 1-hexene can be produced efficiently with excellent selectivity, even under high temperature conditions, by means of an ethylene trimerization reaction. Said transition metal complex is represented by the following general formula (1), wherein M 1 represents a Group 4 transition metal atom, and R 1 through R 11 and X 1 through X 3 each independently represent a hydrogen atom, a halogen atom, or a specific organic group.

  本发明涉及一种过渡金属配合物，该配合物可作为催化组分，在乙烯三聚反应中，即使在高温条件下，也能高效地选择性地生产1-己烯。所述过渡金属配合物由下述一般式（1）表示，其中M1表示4族过渡金属原子，R1至R11和X1至X3各自独立地表示氢原子、卤素原子或特定的有机基团。