3,4-Di-n-propylpyrrol | 66785-94-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 3,4-Di-n-propylpyrrol
• 英文别名: 3,4-dipropyl-pyrrole；3,4-dipropyl-1H-pyrrole
• CAS: 66785-94-2
• 化学式: C₁₀H₁₇N
• 分子量: 151.252
• InChiKey: XZYCJICAIZDIJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  15.8
• 氢给体数：
  1
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  3,4-Di-n-propylpyrrol 在 三氟化硼乙醚 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 生成 octapropyltetraphenylporphyrin
  参考文献：
  名称：

  Relationships between structural parameters and Raman frequencies for some planar and nonplanar nickel(II) porphyrins

  摘要：

  Molecular mechanics calculations, based on a force field derived from a previously published normal coordinate analysis for NiOEP (1) and the X-ray structure of NiOEP B triclinic form, have been used to predict the structures of NiTPP (2), NiP(3), and several recently synthesized nickel porphyrins which bear alkyl or phenyl groups at all 12 peripheral positions (4-10). These calculations predict that porphyrins 4 (NiOMTPP),5 (NiOETPP), 6 (NiOPTPP), 7 (NiDPP),9 (NiTC6TPP), and 10 (NiTC7TPP) adopt a saddle conformation with varying degrees of nonplanarity of the macrocycle. To evaluate the accuracy of these calculations, a single-crystal X-ray structure of the porphyrin with the most nonplanar calculated structure (NiOPTPP) was determined. The agreement between observed and calculated structures is good, both in terms of the general molecular conformation and more subtle structural differences such as a decrease in core size and increase in the C-alpha-NC-alpha bond angle compared to planar nickel porphyrins. The structural parameters obtained from these calculations were then used to investigate the relationship between core size and the frequency of the structure-sensitive Raman lines (nu-4, nu-3, nu-2, and nu-19). The linear relationship between core size and Raman frequency has a positive slope, in contrast to the negative slope exhibited by the usual core size-Raman frequency relationship. Thus it is not the core size that determines the frequencies of the structure-sensitive Raman lines. On the other hand, the linear correlation between the C-alpha-NC-alpha angle and Raman frequency has a negative slope for both the nickel porphyrins used in this study and the metalloporphyrins of the conventional core-size relationship, suggesting a more direct relationship between this angle and the marker line frequencies.

  DOI：

  10.1021/ja00011a004

文献信息

• Novel Catalyst Compositions and Methods of Making and Using Same
  申请人：CHEVRON PHILLIPS CHEMICAL COMPANY LP

  公开号：US20140121343A1

  公开（公告）日：2014-05-01

  An imine phenol compound having Structure I: wherein O and N represent oxygen and nitrogen respectively; R comprises a halogen, a hydrocarbyl group, or a substituted hydrocarbyl group; R 2 and R 3 can each independently be hydrogen, a halogen, a hydrocarbyl group, or a substituted hydrocarbyl group; and Q is a donor group. A method comprising contacting a catalyst composition with a monomer under conditions suitable for the formation of a polymer wherein the catalyst composition comprises a metal salt complex of an imine (bis)phenolate compound, a solid oxide, and an optional metal alkyl and wherein the metal salt complex of an imine (bis)phenolate compound has Structure XIV where M is titanium, zirconium, or hafnium; OE t2 is ethoxide, R comprises a halogen, a hydrocarbyl group, or a substituted hydrocarbyl group; and R 2 comprises hydrogen, a halogen, a hydrocarbyl group, or a substituted hydrocarbyl group.

  具有结构I的亚胺酚化合物，其中O和N分别代表氧和氮；R包括卤素、烃基团或取代烃基团；R2和R3可以分别独立地是氢、卤素、烃基团或取代烃基团；Q是给体基团。一种方法包括将催化剂组合物与单体在适合形成聚合物的条件下接触，其中催化剂组合物包括亚胺（双）酚酸盐化合物的金属盐络合物、固体氧化物和可选的金属烷基，其中亚胺（双）酚酸盐化合物的金属盐络合物具有结构XIV，其中M为钛、锆或铪；OEt2为乙氧基，R包括卤素、烃基团或取代烃基团；R2包括氢、卤素、烃基团或取代烃基团。
• [EN] METHODS FOR THE PRODUCTION OF a,ß-UNSATURATED CARBOXYLIC ACIDS AND SALTS THEREOF<br/>[FR] PROCÉDÉS POUR LA PRÉPARATION D'ACIDES CARBOXYLIQUES Α,SS-INSATURÉS ET DES SELS CORRESPONDANTS
  申请人：CHEVRON PHILLIPS CHEMICAL CO

  公开号：WO2016057449A1

  公开（公告）日：2016-04-14

  Processes for producing an α,β-unsaturated carboxylic acid, such as acrylic acid, or a salt thereof, using solid promoters are disclosed. The starting material either is a metallalactone or comprises an olefin and carbon dioxide. The solid promoters can be certain solid oxides, mixed oxides, and clays, illustrative examples of which can include alumina, zirconia, magnesia, magnesium aluminate, sepiolite, and similar materials.

  公开了使用固体促进剂生产α，β-不饱和羧酸（如丙烯酸）或其盐的工艺。起始材料可以是金属内酯或包括烯烃和二氧化碳。固体促进剂可以是某些固体氧化物、混合氧化物和粘土，例如氧化铝、氧化锆、氧化镁、镁铝酸盐、海泡石等类似材料。
• SULFUR OXOACID-SUBSTITUTED AND PHOSPHORUS OXOACID-SUBSTITUTED POLYAROMATIC RESINS AND SALTS THEREOF AS PROMOTERS IN ACRYLATE PRODUCTION FROM COUPLING REACTIONS OF OLEFINS AND CARBON DIOXIDE
  申请人：CHEVRON PHILLIPS CHEMICAL COMPANY LP

  公开号：US20180362434A1

  公开（公告）日：2018-12-20

  This disclosure provides for routes of synthesis of α,β-unsaturated carboxylic acids and their salts, including acrylic acid. For example, disclosed is a process for producing an α,β-unsaturated carboxylic acid or its salt, comprising: (1) contacting a group 8-11 transition metal precursor, an olefin, carbon dioxide, a diluent, and a sulfur oxoacid anion-substituted polyaromatic resin or a phosphorus oxoacid anion-substituted polyaromatic resin with associated metal cations to provide a mixture; and (2) applying reaction conditions to the mixture suitable to produce the α,β-unsaturated carboxylic acid or a salt thereof. Methods of regenerating the polyaromatic resin with associated metal cations are described.

  该公开提供了α，β-不饱和羧酸及其盐（包括丙烯酸）的合成路线。例如，公开了一种生产α，β-不饱和羧酸或其盐的方法，包括：（1）将8-11族过渡金属前体、烯烃、二氧化碳、稀释剂以及含有与金属阳离子相关的硫氧酸酸根取代的多芳香烃树脂或磷氧酸酸根取代的多芳香烃树脂接触，形成混合物；（2）对混合物施加适合产生α，β-不饱和羧酸或其盐的反应条件。描述了再生带有金属阳离子的多芳香烃树脂的方法。
• [EN] CATALYST COMPOSITIONS CONTAINING TRANSITION METAL COMPLEXES WITH THIOLATE LIGANDS<br/>[FR] COMPOSITIONS CATALYTIQUES CONTENANT DES COMPLEXES DE MÉTAUX DE TRANSITION AVEC DES LIGANDS THIOLATE
  申请人：CHEVRON PHILLIPS CHEMICAL CO

  公开号：WO2012122349A1

  公开（公告）日：2012-09-13

  The present invention discloses catalyst compositions employing transition metal complexes with a thiolate ligand. Methods for making these transition metal complexes and for using such compounds in catalyst compositions for the polymerization of olefins also are provided.

  本发明揭示了使用含硫醇配体的过渡金属配合物的催化剂组合物。还提供了制备这些过渡金属配合物的方法，以及在烯烃聚合催化剂组合物中使用这些化合物的方法。
• [EN] SYNTHESIS OF ARYL COUPLED BIS PHENOXIDES AND THEIR USE IN OLEFIN POLYMERIZATION CATALYST SYSTEMS WITH ACTIVATOR-SUPPORTS<br/>[FR] SYNTHÈSE DE BIS PHÉNOXYDES COUPLÉS ARYLE ET LEUR UTILISATION DANS DES SYSTÈMES DE CATALYSEURS DE POLYMÉRISATION D'OLÉFINES AVEC SUPPORTS ACTIVATEURS
  申请人：CHEVRON PHILLIPS CHEMICAL CO

  公开号：WO2015175636A1

  公开（公告）日：2015-11-19

  Disclosed herein are methods of making bis(phenol) ligand compounds and transition metal bis(phenolate) compounds. The transition metal bis(phenolate) compounds can be used as components in catalyst systems for the polymerization of olefins.

  本文公开了制备双(酚)配体化合物和过渡金属双(酚酸盐)化合物的方法。这些过渡金属双(酚酸盐)化合物可以作为催化剂体系中的组分，用于烯烃的聚合。