2,4,7,9-Tetramethyl-[1,10]phenanthrolin | 3309-33-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 2,4,7,9-Tetramethyl-[1,10]phenanthrolin
• 英文别名: 2,4,7,9-Tetramethyl-1,10-phenanthroline
• CAS: 3309-33-9
• 化学式: C₁₆H₁₆N₂
• 分子量: 236.316
• InChiKey: XLLDGHKSXHVKJV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (tetrahydrothiophene)gold(I) chloride 、 2,4,7,9-Tetramethyl-[1,10]phenanthrolin 以 二氯甲烷 为溶剂， 反应 20.0h， 生成
  参考文献：
  名称：

  菲咯啉支持的一系列新型金（I）-降冰片烯配合物的结构，理论和光谱表征：支持配体的作用

  摘要：

  一系列通式为[Au（N ^ N）（η²-nb）] [PF₆] [N ^ N = PHEN（1,10-菲咯啉），NCP（2,9-二甲基）的新型金（I）烯烃配合物-1,10-菲咯啉），4,7-DMP（4,7-二甲基-1,10-菲咯啉），TMP（3,4,7,8-四甲基-1,10-菲咯啉），BTP（4， 7-二苯基-1,10-菲咯啉）和BTC（2,9-二甲基-4,7-二苯基-1,10-菲咯啉）; nb =降冰片烯]是通过新颖的合成途径合成的。新型阳离子金（I）-降冰片烯配合物通过1 H和13 C NMR光谱进行了全面表征，三种配合物的晶体结构通过单晶X射线衍射解析。辅助配体上取代基的性质和位置与光谱和结构数据之间的相关性突出了键合性质的变化。

  DOI：

  10.1002/ejic.201901116
• 作为产物：
  描述：

  戊-3-烯-2-酮 、 邻苯二胺 以28%的产率得到
  参考文献：
  名称：

  BUTT, G.;TOPSOM, R. D., J. HETEROCYCL. CHEM., 1981, 18, N 3, 641

  摘要：

  DOI：

文献信息

• [EN] ANTIMICROBIAL AGENT<br/>[FR] AGENT ANTIMICROBIEN
  申请人：UNIV SHEFFIELD

  公开号：WO2020201754A1

  公开（公告）日：2020-10-08

  A compound according to formula (I) or formula (la), and a composition comprising the compound for use as an antimicrobial: wherein, X1, X2, X3 and X4 are each independently selected from: N, O, S; Y1 and Y2 are each independently selected from: N, O, S, C(Ra); M1 and M2 are each a metal centre; R1, R2, R3, R4 and Ra are each independently selected from: hydrogen, alkyl, alkenyl, aryl, halogen, haloalkyl, haloalkenyl, haloaryl, hydroxy, alkoxy, carboxylic acid, amino, amido, nitro or combination thereof; A1, A2, A3 and A4 are each bidentate ligands; and rings D1 and D2 are each independently comprise one or more heteroatoms selected from N, O, S, C(Ra); wherein said compound is for use as an antimicrobial.

  根据公式（I）或公式（la）的化合物，以及包含该化合物用作抗微生物剂的组合物：其中，X1、X2、X3和X4分别独立选择自：N、O、S；Y1和Y2分别独立选择自：N、O、S、C（Ra）；M1和M2分别是金属中心；R1、R2、R3、R4和Ra分别独立选择自：氢、烷基、烯基、芳基、卤素、卤代烷基、卤代烯基、卤代芳基、羟基、烷氧基、羧酸、氨基、酰胺基、硝基或它们的组合；A1、A2、A3和A4分别是双齿配体；环D1和D2分别独立包含一个或多个来自N、O、S、C（Ra）的杂原子；其中所述化合物用作抗微生物剂。
• Site‐Selective, Remote sp ³ C−H Carboxylation Enabled by the Merger of Photoredox and Nickel Catalysis
  作者：Basudev Sahoo、Peter Bellotti、Francisco Juliá‐Hernández、Qing‐Yuan Meng、Stefano Crespi、Burkhard König、Ruben Martin

  DOI：10.1002/chem.201902095

  日期：2019.7.5

  A photoinduced carboxylation of alkyl halides with CO2 at remote sp3 C−H sites enabled by the merger of photoredox and Ni catalysis is described. This protocol features a predictable reactivity and site selectivity that can be modulated by the ligand backbone. Preliminary studies reinforce a rationale based on a dynamic displacement of the catalyst throughout the alkyl side chain.

  描述了通过光氧化还原和镍催化的合并，在远处的sp 3 C-H位处用CO 2对卤代烷进行光诱导的羧化反应。该协议具有可预测的反应性和位点选择性，可以通过配体主链进行调节。初步研究加强了基于整个烷基侧链的催化剂动态置换的原理。
• Stabilization of iodine biocides
  申请人：Uhr Hermann

  公开号：US20090036555A1

  公开（公告）日：2009-02-05

  2-(2-Hydroxyphenyl)benzotriazoles are outstandingly suitable for stabilizing iodine-containing biocides in industrial materials, more particularly in paints based on alkyd resin.

  2-(2-羟基苯基)苯并三唑在工业材料中稳定含碘生物杀菌剂方面特别适用，尤其是在基于醇酸树脂的油性漆中。
• Transvinylation as a First Stage of Coupling Production of Vinyl Esters and Acetic Acid or Propionic Acid Reaction Products
  申请人：Oxea GmbH

  公开号：US20140357881A1

  公开（公告）日：2014-12-04

  Process for coproduction of a vinyl ester of the formula R—C(O)O—CH═CH by transvinylation reaction of a carboxylic acid of the formula R—C(O)OH with a transvinylating reagent of the formula R 1 —C(O)O CH═CH 2 , characterized in that (a) the transvinylation reaction is conducted continuously at a temperature of 90 to 160° C. and at a pressure of 0.5 to 15 MPa without withdrawal of a reactant in the presence of a transition meta/catalyst containing at least one transition metal selected from the group of ruthenium, osmium, rhodium, iridium, palladium and platinum; (b) the resulting reaction mixture is separated into its constituents and the vinyl ester of the formula R—C(O)O—CH═CH 2 and the carboxylic acid of the formula R 1 —C(O)—OH are removed; and (c) the carboxylic acid obtained after step (b) is converted to a derivative of the formula R 1 —C(O)—X, R 1 —CH 2 —OH or R 6 —C(O)—OH in which X is vinyloxy, O—CH—CH 2 , halogen, alkoxy of the formula OR 2 in which R 2 is a substituted or unsubstituted hydrocarbyl radical having 1 to 10 carbon atoms, amino of the formula NR 3 R 4 in which R 3 and R 4 are each independently hydrogen or a substituted or unsubstituted hydrocarbyl radical having 1 to 10 carbon atoms, or carboxyl of the formula O—C(O)—R 5 in which R 5 is hydrogen or a substituted or unsubstituted hydrocarbyl radical having 1 to 10 carbon atoms, and R 6 is the partly or fully halogen-substituted R 1 radical.

  通过将化学式为R-C（O）OH的羧酸与化学式为R1-C（O）O CH═CH2的转移乙烯基试剂进行反应，制备化学式为R-C（O）O-CH═CH的乙烯酸酯的共生产方法，其特点在于：（a）在转移金属催化剂的存在下，连续地在90至160℃的温度和0.5至15 MPa的压力下进行反应，而无需撤回反应物；（b）将反应混合物分离成其组分，并去除化学式为R-C（O）O-CH═ 的乙烯酸酯和化学式为R1-C（O）OH的羧酸；（c）在步骤（b）中获得的羧酸转化为化学式为R1-C（O）-X、R1- -OH或R6-C（O）-OH的衍生物，其中X是乙烯氧基、O-CH- 、卤素、OR2的烷氧基式，其中R2是具有1至10个碳原子的取代或未取代的烃基基团，或NR3R4的氨基式，其中R3和R4各自独立地为氢或具有1至10个碳原子的取代或未取代的烃基基团，或O-C（O）-R5的羧基式，其中R5是氢或具有1至10个碳原子的取代或未取代的烃基基团，而R6是部分或完全卤素取代的R1基团。
• COPPER (I) COMPLEXES FOR OPTOELECTRONIC DEVICES
  申请人：Yersin Hartmut

  公开号：US20130150581A1

  公开（公告）日：2013-06-13

  The invention relates to neutral mononuclear copper (I) complexes for emitting light and with a structure according to formula (A) in which: M represents: Cu(I); L∩L represents: a single, negatively charged, bidentate ligand; N∩N represents: a diimine ligand (substituted with R and FG), in particular a substituted 2,2′-bipyridine derivative (bpy) or a substituted 1,10-phenanthroline derivative (phen); R represents: at least one sterically demanding substituent for preventing the planarisation of the complex in the excited state; FG=functional group, and represents: at least one second substituent for increasing solubility in organic solvents. The substituent can also be used for electron transport or alternatively for hole transport, said functional group being bound to the diimine ligands either directly or by means of suitable bridges; and the copper (I) complex: having a ΔE(S 1 −T 1 ) value of less than 2500 cm −1 between the lowest excited singlet state (S 1 ) and the triplet state (T 1 ) which lies below; having an emission lifespan of at most 20 μs; having an emission quantum yield of greater than 40%, and a solubility of at least 1 g/L in organic solvents, in particular polar organic hydrocarbons such as acetone, methyl ethyl ketone, benzene, toluene, chlorobenzene, dichlorobenzene, dichloromethane, chloroform, dichloroethane, tetrachloroethylene, alcohols, acetonitrile or water.

  本发明涉及一种中性的单核铜(I)配合物，用于发光，其结构符合公式(A)，其中：M表示：Cu(I)；L∩L表示：一种单负离子的双齿配体；N∩N表示：一种二亚胺配体（用R和FG取代），特别是取代的2,2′-联吡啶衍生物（bpy）或取代的1,10-邻菲啰啉衍生物（phen）；R表示：至少一个空间位阻取代基，以防止激发态下配合物的平面化；FG表示：功能基团，代表至少一个第二取代基，以增加在有机溶剂中的溶解度。该取代基还可用于电子输运或孔传输，该功能基团直接或通过适当的桥连接到二亚胺配体上；铜(I)配合物：具有最低激发单重态（S1）和三重态（T1）之间的ΔE(S1−T1)值小于2500 cm−1；具有最多20 μs的发射寿命；具有大于40％的发射量子产率，并且在有机溶剂中的溶解度至少为1 g/L，特别是在极性有机烃中，如丙酮、甲基乙酮、苯、甲苯、氯苯、二氯苯、二氯甲烷、氯仿、二氯乙烷、四氯乙烯、醇、乙腈或水中。