4,4-Dimethyl-1-p-tolyl-pent-1-en-3-on | 1654-05-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 4,4-Dimethyl-1-p-tolyl-pent-1-en-3-on
• 英文别名: 4,4-Dimethyl-1-(4-methylphenyl)pent-1-en-3-one
• CAS: 1654-05-3
• 化学式: C₁₄H₁₈O
• 分子量: 202.296
• InChiKey: VLZNDLRLMRVBHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,4-Dimethyl-1-p-tolyl-pent-1-en-3-on 在 sodium acetate 、 trityl tetrafluoroborate 、 sodium amide 作用下， 以 乙醇 、 溶剂黄146 、 苯 为溶剂， 反应 20.67h， 生成 2,2,8,8-tetramethyl-5-(4-methylphenyl)non-4-ene-3,7-dione
  参考文献：
  名称：

  Structure and Photophysical Properties of 2,6-Di-tert-Butyl-4-arylpyrylium 2-Naphthalenesulfonate Ion Pairs in Solution and in the Solid State

  摘要：

  2,6-Di-tert-butyl-4-arylpyrylium 2-naphthalenesulfonate salts form ion pairs in dimethylcarbonate solution that exhibit charge-transfer absorptions and result in the rapid quenching of the pyrylium fluorescence. Molecular mechanics calculations predict that these ion pairs exist in a T-shaped orientation, but X-ray structural analysis reveals a pi face-to-face arrangement in the solid state. Nuclear Overhauser effect and time-resolved spectroscopic experiments carried out in solution are consistent with a T-shape for the ion pair, but these experiments do not prove that this structural hypothesis is correct.

  DOI：

  10.1021/jo00084a033
• 作为产物：
  描述：

  频哪酮 、 对甲基苯甲醛 在 sodium hydroxide 作用下， 以88%的产率得到4,4-Dimethyl-1-p-tolyl-pent-1-en-3-on
  参考文献：
  名称：

  I 2介导的氧化性C–N键形成，用于无金属一锅法从α，β-不饱和醛/酮和肼生成二，三和四取代的吡唑

  摘要：

  I 2介导的无金属氧化C–N键形成方法已建立用于区域选择性吡唑合成。这种实用且环保的一锅操作方案无需分离不稳定程度较高的中间体s，并易于从容易获得的多种二，三和四取代（芳基，烷基和/或乙烯基）吡唑中分离α，β-不饱和醛/酮和肼盐。

  DOI：

  10.1021/jo501844x

文献信息

• Enantio‐, Regio‐ and Chemoselective Copper‐Catalyzed 1,2‐Hydroborylation of Acylsilanes
  作者：Audric Nagy、Laurent Collard、Kiran Indukuri、Tom Leyssens、Olivier Riant

  DOI：10.1002/chem.201901785

  日期：——

  Enantioselective synthesis of synthetically significant (α‐hydroxyallyl)silanes, (α‐hydroxyaryl)silanes, and (α‐hydroxyalkyl)silanes is reported. The present copper‐catalyzed 1,2‐selective hydroborylation of acylsilanes affords the aforementioned products in high yields and with high enantiomeric excesses. This robust and scalable additive‐free catalytic system relies on the use of low copper(II) acetate

  报道了对合成重要的（α-羟基烯丙基）硅烷，（α-羟基芳基）硅烷和（α-羟基烷基）硅烷的对映选择性合成。目前的铜催化酰基硅烷的1,2-选择加氢硼化可以高收率和高对映体过量提供上述产品。这种强大且可扩展的无添加剂催化体系依赖于在市场上可买到且稳定的氢化物源存在下，在室温下使用低乙酸铜（II）和二膦配体的负载量。
• [EN] ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT<br/>[FR] DERIVES TRIAZOLYLE ANTIFONGIQUES 1, 2, 4 AYANT UN SUBSTITUANT 5-SOUFRE
  申请人：BASF SE

  公开号：WO2010146113A1

  公开（公告）日：2010-12-23

  The present invention relates to novel triazole compounds of the formulae (I) and (II) as defined below, to agricultural and pharmaceutical compositions containing them and to their use as fungicides, antimycotic, anticancer and antiviral agents.

  本发明涉及以下定义的新型三唑化合物的结构式(I)和(II)，以及含有它们的农药和药物组合物，以及它们作为杀菌剂、抗真菌剂、抗癌剂和抗病毒剂的用途。
• Synthesis of Cyclopropenes and Fluorinated Cyclopropanes via Michael Initiated Ring Closure of Alkyl Triflones
  作者：Hui Wang、Ren‐Yin Yang、Bo Xu

  DOI：10.1002/chem.202104364

  日期：2022.4.22

  Various cyclopropenes and fluorinated cyclopropanes were prepared from readily available alkyl triflones and electron-deficient alkenes via a Michael addition initiated ring closure (MIRC) process. This protocol not only has a broad substrates scope but also achieves good chemical yields and moderate diastereoselectivity. The mechanism may involve tandem Michael addition of triflones/intramolecular

  各种环丙烯和氟化环丙烷通过迈克尔加成引发的闭环 (MIRC) 工艺由容易获得的烷基三氟甲砜和缺电子烯烃制备。该协议不仅具有广泛的底物范围，而且还实现了良好的化学收率和适度的非对映选择性。该机制可能涉及串联迈克尔加成三氟乙烯/分子内亲核环化（消除-SO 2 CF 3）/消除氟化物。
• Antifungal 1,2,4-triazolyl derivatives having a 5-sulfur subtituent
  申请人：Renner Jens

  公开号：US20120088664A1

  公开（公告）日：2012-04-12

  The present invention relates to novel triazole compounds of the formulae I and II as defined below which carry a sulfur substituent, to agricultural compositions containing them, to their use as fungicides and to intermediate compounds used in the method of producing them.

  本发明涉及以下式I和II的新型三唑化合物，其具有硫代基团，包含它们的农业组合物，它们作为杀菌剂的用途以及用于制备它们的中间化合物。
• Copper-Catalyzed Aza-Benzyl Transfer Michael Addition via C–C Bond Cleavage
  作者：Si-Qi Xiong、Chuan-Ming Hong、Qing-Hua Li、Tang-Lin Liu

  DOI：10.1021/acs.joc.2c02740

  日期：2023.3.17

  A non-noble Cu-catalyzed transfer aza-benzyl Michael addition via the C–C bond cleavage of aza-benzyl alcohols has been disclosed. The unstrained C(sp3)–C(sp3) bond of an alcohol was selectively cleaved. This aza-benzyl transfer strategy provides a selective and environmentally benign approach for the C-alkylation of α,β-unsaturated carbonyl compounds that employs readily available alcohols as carbon

  已经公开了通过氮杂苯甲醇的 C-C 键裂解的非贵金属 Cu 催化转移氮杂苯甲基迈克尔加成。醇的未应变 C(sp 3 )–C(sp 3 ) 键被选择性裂解。这种氮杂-苄基转移策略为 α,β-不饱和羰基化合物的 C-烷基化提供了一种选择性和环境友好的方法，该方法使用现成的醇作为碳亲核试剂，其特点是底物范围广，产率高。