1-isopropyl-4-(4-methoxybenzyl)benzene | 1257314-54-7

• 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: 1-isopropyl-4-(4-methoxybenzyl)benzene
• 英文别名: 1-Methoxy-4-[(4-propan-2-ylphenyl)methyl]benzene
• CAS: 1257314-54-7
• 化学式: C₁₇H₂₀O
• 分子量: 240.345
• InChiKey: OQIMIFRVXGVIAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  4-甲氧基苯基溴化镁 、 4-异丙基苄氯 在 bis(acetonitrile)nickel(II) dichloride 、 C₃₃H₂₇NP₂ 作用下， 以 四氢呋喃 为溶剂， 反应 8.0h， 以87%的产率得到1-isopropyl-4-(4-methoxybenzyl)benzene
  参考文献：
  名称：

  双齿P，N-P配体，用于镍催化的芳基或苄基氯与ArMgX的交叉偶联

  摘要：

  各种芳基，杂芳基和苄基氯与ArMgX的交叉偶联反应由2摩尔％从等摩尔量的Ni（CH 3 CN）2 Cl 2和配体（ L2），以在室温下以优异的THF收率得到产物。该新的双齿配体（L2）在空气中稳定，并且在与Ni（CH 3 CN）2 Cl 2反应时形成稳定的络合物。配体和配合物的结构通过单晶X射线衍射确认。

  DOI：

  10.1021/jo1016458

文献信息

• [EN] TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY<br/>[FR] DÉRIVÉS TRIAZOLES À ACTIVITÉ ANTIFONGIQUE
  申请人：KING S COLLEGE LONDON

  公开号：WO2021156636A1

  公开（公告）日：2021-08-12

  Disclosed are compounds of the formula (I) and pharmaceutically acceptable salts thereof, wherein R1, R2, Q2, L1 and n are as defined herein. The compounds have antifungal properties and are useful in the treatment of fungal infections, including infections that are resistant to conventions anti-fungal agents. Q1 is selected from: (Formulae Ia, Ib, Ic, Id, Ie, If, Ig, Ih, Ii, Ij and Ik) wherein * indicates the point of attachment to L1.

  揭示了公式(I)的化合物及其药学上可接受的盐，其中R1、R2、Q2、L1和n的定义如本文所述。这些化合物具有抗真菌性能，并可用于治疗真菌感染，包括对传统抗真菌药物产生耐药性的感染。Q1选自:(公式Ia、Ib、Ic、Id、Ie、If、Ig、Ih、Ii、Ij和Ik)，其中*表示与L1的连接点。
• NHC as a Ligand in Heterobimetallic Catalysis: An Insight into a Catalytic Friedel–Crafts-like Reaction
  作者：Mukesh Kumar Nayak、Anuradha Mohanty、Sujit Roy

  DOI：10.1021/acs.organomet.3c00177

  日期：2023.8.14

  calculation of local reactivity descriptors, namely, local electron density and the Fukui function index for nucleophilic attack at a center, established that in transition metal–tin heterobimetallic complexes, N-heterocyclic carbene (NHC) is a better ligand than its alkene and phosphine analogues for the coupling of C–H and C–OH bonds. This insight was verified by synthesizing a new complex (NHC)2Pd(Br)(SnCl3)

  局部反应性描述符（即局部电子密度和中心亲核攻击的福井功能指数）的计算表明，在过渡金属-锡异双金属配合物中，N-杂环卡宾（NHC）是比其烯烃和膦更好的配体C-H 和 C-OH 键偶联的类似物。这一见解通过合成一种新的络合物 (NHC) 2 Pd(Br)(SnCl 3 )得到了验证，该络合物被证明是芳烃/杂芳烃与醇偶联的优异催化剂（0.5–1 mol %；60 °C； >35 个示例；高 TOF）。已经描述了动力学和热力学研究的结果。相应地，提出了一种机制。
• [EN] PHOSPHORUS-CONTAINING FLAME RETARDANT MIXTURES, A PROCESS FOR PRODUCTION OF SAID MIXTURES AND USE OF SAID MIXTURES, AND ALSO EPOXY RESIN FORMULATIONS WHICH COMPRISE SAID FLAME RETARDANT MIXTURES<br/>[FR] MÉLANGES IGNIFUGES CONTENANT DU PHOSPHORE, PROCÉDÉ DE PRODUCTION DESDITS MÉLANGES ET UTILISATION DESDITS MÉLANGES AINSI QUE FORMULATIONS DE RÉSINE ÉPOXY COMPRENANT LESDITS MÉLANGES IGNIFUGES
  申请人：CLARIANT INT LTD

  公开号：WO2021254908A1

  公开（公告）日：2021-12-23

  Phosphorus-containing flame retardant mixtures, a process for production of said mixtures and use of said mixtures, and also epoxy resin formulations which comprise said flame retardant mixtures. The present invention relates to phosphorus-containing flame retardant mixtures, comprising individual flame retardants having in each case one or more functional groups of the formulae (I), (II) and (III), where, based on the total quantity of functional groups in the flame retardant mixture, 1 to 98 mol% of functional groups of the formula (I), 1 to 35 mol% of functional groups of the formula (II) and 1 to 98 mol% of functional groups of the formula (III) are present, and where R1 and R2 are identical or different and are mutually independently hydrogen, C1- to C12-alkyl, linear or branched, and/or C6- to C18-aryl and the entirety of (I), (II) and (III) is always 100 mol%.
• Bidentate P, N−P Ligand for Nickel-Catalyzed Cross-Coupling of Aryl or Benzyl Chlorides with ArMgX
  作者：Raju Ghosh、Amitabha Sarkar

  DOI：10.1021/jo1016458

  日期：2010.12.3

  cross-coupling reaction of a variety of aryl, heteroaryl, and benzyl chlorides with ArMgX is catalyzed by 2 mol % of a nickel−phosphine complex prepared in situ from an equimolar amount of Ni(CH3CN)2Cl2 and ligand (L2) to yield products in excellent yield in THF at room temperature. This new bidentate ligand (L2) is stable in air and forms a stable complex upon reaction with Ni(CH3CN)2Cl2. Structures of the

  各种芳基，杂芳基和苄基氯与ArMgX的交叉偶联反应由2摩尔％从等摩尔量的Ni（CH 3 CN）2 Cl 2和配体（ L2），以在室温下以优异的THF收率得到产物。该新的双齿配体（L2）在空气中稳定，并且在与Ni（CH 3 CN）2 Cl 2反应时形成稳定的络合物。配体和配合物的结构通过单晶X射线衍射确认。