3,5-diisopropoxybenzonitrile | 1369933-25-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3,5-diisopropoxybenzonitrile
• 英文别名: 3,5-di(propan-2-yloxy)benzonitrile
• CAS: 1369933-25-4
• 化学式: C₁₃H₁₇NO₂
• 分子量: 219.283
• InChiKey: ZJNZUBVLTWJMJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  42.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5-diisopropoxybenzonitrile 、 苯基氯化镁 以 四氢呋喃 为溶剂， 反应 24.0h， 以80%的产率得到(3,5-diisopropoxyphenyl)(phenyl)methanone
  参考文献：
  名称：

  钌基烯烃复分解催化剂的再活化

  摘要：

  第一代 Hoveyda-Grubbs 烯烃复分解催化剂在乙烯存在下特意分解，产生在基准底物二烯丙基丙二酸二乙酯 (DEDAM) 的闭环复分解 (RCM) 中不活跃的无机物质。将分解后的催化剂用1-(3,5-二异丙氧基苯基)-1-苯基丙-2-炔-1-醇( 3 )处理，生成具有烯烃复分解活性的钌亚茚醚络合物，收率43％。该配合物也是通过RuCl 2 ( p-伞花烃)(PCy 3 )与有机前体3反应独立制备的。DEDAM RCM 中分离的再活化催化剂的活性与独立制备的配合物相似。

  DOI：

  10.1021/om301042a

文献信息

• METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS
  申请人：Schrodi Yann

  公开号：US20130204026A1

  公开（公告）日：2013-08-08

  Synthetic methods for the in-situ formation of olefin metathesis catalysts are disclosed, as well as the use of such catalysts in metathesis reactions of olefins and olefin compounds. In one aspect, a method is provided for synthesizing an organometallic compound of the formula comprising contacting a precursor compound of the formula (X 1 X 2 ML j L 1 k L 3 m ) i with an acetylenic compound comprising a chelating moiety, optionally, in the presence of a neutral electron donor, wherein M is a Group 8 transition metal, L, L 1 , L 2 , and L 3 are neutral electron donors, X 1 and X 2 are anionic ligands, j is 1, 2, or 3; k is zero, 1, or 2; m is zero or 1; n is 1 or 2; and i is an integer; with the proviso that k is zero when the precursor compound is contacted with the acetylenic compound in the presence of the neutral electron donor, and R 1 and R 2 are independently selected from hydrocarbyl, substituted hydrocarbyl, heteroatom-containing hydrocarbyl, substituted heteroatom-containing hydrocarbyl, and functional groups, wherein R 1 and R 2 are linked and together form one or more cyclic groups, R 2 and L 2 are linked and together form one or more cyclic groups, and any other two or more of X 1 , X 2 , L 1 , L 2 , L 3 , R 1 , and R 2 can be taken together to form one or more cyclic groups. The invention has utility in the fields of catalysis, organic synthesis, polymer chemistry, and industrial and fine chemicals chemistry.

  本文披露了用于原位合成烯烃转化催化剂的合成方法，以及在烯烃和烯烃化合物的转化反应中使用这种催化剂的方法。在一方面，提供了一种合成具有以下公式的有机金属化合物的方法： （X1X2MLjL1kL3m）i 其中，M是第8族过渡金属，L、L1、L2和L3是中性电子给体，X1和X2是阴离子配体，j为1、2或3，k为0、1或2，m为0或1，n为1或2，i为整数；但前提是当前体化合物在中性电子给体的存在下与含有螯合基团的乙炔化合物接触时，k为零。R1和R2是烃基、取代烃基、含杂原子的烃基、取代含杂原子的烃基和官能团，其中R1和R2连接在一起形成一个或多个环。R2和L2连接在一起形成一个或多个环，X1、X2、L1、L2、L3、R1和R2中的任意其他两个或更多个可以结合在一起形成一个或多个环。本发明在催化、有机合成、聚合物化学以及工业和精细化学品化学领域具有实用价值。
• US9273081B2
  申请人：——

  公开号：US9273081B2

  公开（公告）日：2016-03-01
• [EN] METHOD FOR IN-SITU FORMATION OF METATHESIS CATALYSTS<br/>[FR] PROCÉDÉ POUR LA FORMATION IN SITU DE CATALYSEURS DE MÉTATHÈSE
  申请人：SCHRODI YANN

  公开号：WO2011119778A2

  公开（公告）日：2011-09-29

  Synthetic methods for the in-situ formation of olefin metathesis catalysts are disclosed, as well as the use of such catalysts in metathesis reactions of olefins and olefin compounds. In one aspect, a method is provided for synthesizing an organometallic compound of the formula (I); comprising contacting a precursor compound of the formula (X1X2MLjL1kL3m)i with an acetylenic compound of the formula comprising a chelating moiety, optionally, in the presence of a neutral electron donor, wherein M is a Group 8 transition metal, L, L1, L2, and L3 are neutral electron donors, X1 and X2 are anionic ligands,j is 1, 2, or 3; k is zero, 1, or 2; m is zero or 1; n is 1 or 2; and i is an integer; with the proviso that k is zero when the precursor compound is contacted with the acetylenic compound in the presence of the neutral electron donor, and R1 and R2 are independently selected from hydrocarbyl, substituted hydrocarbyl, heteroatom-containing hydrocarbyl, substituted heteroatom-containing hydrocarbyl, and functional groups, wherein R1 and R2 are linked and together form one or more cyclic groups, R2 and L2 are linked and together form one or more cyclic groups, and any other two or more of X1, X2, L1, L2, L3, R1, and R2 can be taken together to form one or more cyclic groups. The invention has utility in the fields of catalysis, organic synthesis, polymer chemistry, and industrial and fine chemicals chemistry.
• Reactivation of a Ruthenium-Based Olefin Metathesis Catalyst
  作者：Daniel S. Tabari、Daniel R. Tolentino、Yann Schrodi

  DOI：10.1021/om301042a

  日期：2013.1.14

  First-generation Hoveyda–Grubbs olefin metathesis catalyst was purposely decomposed in the presence of ethylene, yielding inorganic species that are inactive in the ring-closing metathesis (RCM) of the benchmark substrate diethyl diallylmalonate (DEDAM). The decomposed catalyst was treated with 1-(3,5-diisopropoxyphenyl)-1-phenylprop-2-yn-1-ol (3) to generate an olefin metathesis active ruthenium indenylidene-ether

  第一代 Hoveyda-Grubbs 烯烃复分解催化剂在乙烯存在下特意分解，产生在基准底物二烯丙基丙二酸二乙酯 (DEDAM) 的闭环复分解 (RCM) 中不活跃的无机物质。将分解后的催化剂用1-(3,5-二异丙氧基苯基)-1-苯基丙-2-炔-1-醇( 3 )处理，生成具有烯烃复分解活性的钌亚茚醚络合物，收率43％。该配合物也是通过RuCl 2 ( p-伞花烃)(PCy 3 )与有机前体3反应独立制备的。DEDAM RCM 中分离的再活化催化剂的活性与独立制备的配合物相似。