1-(2,4-dichlorophenyl)propan-1-ol | 53066-02-7

• 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-(2,4-dichlorophenyl)propan-1-ol
• 英文别名: benzaldehyde
• CAS: 53066-02-7
• 化学式: C₉H₁₀Cl₂O
• mdl: MFCD08442416
• 分子量: 205.084
• InChiKey: ZWTXYZVEHXCHFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(2,4-dichlorophenyl)propan-1-ol 在 iron(III) chloride 、 sodium hydride 作用下， 以 四氢呋喃 、 二氯甲烷 、 mineral oil 为溶剂， 反应 21.0h， 生成 N-(1-(2,4-dichlorophenyl)propyl)-4-methylbenzenesulfonamide
  参考文献：
  名称：

  Iron-catalyzed N-alkylation using π-activated ethers as electrophiles

  摘要：

  通过铁催化的醚类Csp3–O键断裂并伴随C–N键形成反应，开发了一种合成多种N-烷基化化合物的新方法，即在π活性醚与各种含氮亲核试剂的反应中生成C–N键。此外，还研究了该反应的机理。

  DOI：

  10.1039/c3ob27128e
• 作为产物：
  描述：

  diethylzinc 、 2,4-二氯苯甲醛 在 N-[(2-diphenylphosphorylphenyl)-phenylphosphoryl]-N-propan-2-ylpropan-2-amine 作用下， 以 正己烷 为溶剂， 反应 2.0h， 以100%的产率得到1-(2,4-dichlorophenyl)propan-1-ol
  参考文献：
  名称：

  作为锌化学中混合施主双齿配体的次膦酰胺-磷酰基硫属元素化物（硫属元素= O，S，Se）的合成，结构，NMR和催化研究†

  摘要：

  邻位取代的（二苯基磷酰基）-，（二苯基磷硫酰基）-和（二苯基磷杂环戊酰基）-次膦酰胺o -C 6 H 4（P（X）Ph 2）（P（O）N i Pr 2）（X = O（20a）， S（20b），Se（20c））是通过N，N-二异丙基-P，P-二苯基次膦酰胺（Ph 2 P（O）N i Pr 2）的邻位锂化反应合成的，然后用Ph 2 PCl捕获o的氧化-具有H 2 O 2，S 8和Se的-（二苯基膦）次膦酰胺（19）。新的混合施主二齿配体与二氯化锌的反应提供了相应的配合物[ZnCl 2（P（X）Ph 2）o -C 6 H 4（P（O）N i Pr 2）]（21a–c） 。这些新化合物在溶液中通过核磁共振波谱进行了结构表征，并在固体状态下通过对配体（20b）和三种配合物（21a–c）的X射线衍射分析进行了表征。20b的X射线晶体结构提示存在一个P O→P（S）–C分子内非键相互作用。使用DFT方法

  DOI：

  10.1039/c4dt01789g

文献信息

• Pure phosphotriesters as versatile ligands in transition metal catalysis: efficient hydrosilylation of ketones and diethylzinc addition to aldehydes
  作者：M. Bouhachicha、A. Ngo Ndimba、T. Roisnel、C. Lalli、G. Argouarch

  DOI：10.1039/c7nj00566k

  日期：——

  probe this and to enlarge the very narrow catalytic scope of these Lewis bases, easily accessible mono- and bidentate phosphotriesters were tested as donors in two important transition metal-based catalytic transformations: the zinc-catalyzed hydrosilylation of ketones and the titanium-promoted diethylzinc addition to aldehydes. In both cases, the reactions were successful and the corresponding alcohols

  与其他含磷供体（例如氧化膦或亚磷酸酯）相比，这项工作旨在强调纯磷酸三酯（或磷酸酯）配体在催化中的作用被低估。为了探究这一点并扩大这些Lewis碱的狭窄催化范围，在两种重要的基于过渡金属的催化转化中，测试了易于获得的单和双齿磷酸三酯作为供体：酮的锌催化氢化硅烷化和钛促进的二乙基锌除醛外。在两种情况下，反应均成功，并且以高收率获得了相应的醇。
• Iron-Catalyzed π-Activated C-O Ether Bond Cleavage with C-C and C-H Bond Formation
  作者：Xiaohui Fan、Xiao-Meng Cui、Yong-Hong Guan、Lin-An Fu、Hao Lv、Kun Guo、Hong-Bo Zhu

  DOI：10.1002/ejoc.201301372

  日期：2014.1

  A novel and efficient allylic alkylation reaction between π-activated ethers and allylsilane was realized under mild conditions through iron(III)-catalyzed C–O ether bond cleavage. The present protocol provides an attractive approach for the construction of sp3–sp3 C–C bonds and can be potentially applied for the selective reduction of benzyl and allyl ethers to their corresponding hydrocarbon compounds

  通过铁（III）催化的 C-O 醚键断裂，在温和条件下实现了 π 活化醚和烯丙基硅烷之间新型高效的烯丙基烷基化反应。本协议为构建 sp3-sp3 C-C 键提供了一种有吸引力的方法，并且可以通过使用三乙基硅烷作为氢化物转移试剂将苄基和烯丙基醚选择性还原为其相应的碳氢化合物。
• Substituted benzimidazoles and benzopyrazoles as CCR(4) antagonists
  申请人：CHEMOCENTRYX, INC.

  公开号：US10647696B2

  公开（公告）日：2020-05-12

  Benzimidazole, benzopyrazole and benzotriazole compounds are provided which bind to CCR(4) and are useful for the treatment of diseases such as allergic diseases, autoimmune diseases, graft rejection and cancer.

  所提供的苯并咪唑、苯并吡唑和苯并三唑化合物与 CCR(4) 结合，可用于治疗过敏性疾病、自身免疫性疾病、移植物排斥和癌症等疾病。
• Synthesis, Antifungal Activity, and Molecular Modeling Studies of New Inverted Oxime Ethers of Oxiconazole
  作者：Armando Rossello、Simone Bertini、Annalina Lapucci、Marco Macchia、Adriano Martinelli、Simona Rapposelli、Esperanza Herreros、Bruno Macchia

  DOI：10.1021/jm020980t

  日期：2002.10.1

  Some new oxime ethers of types 7 and 8, in which the methyleneaminoxy group, C=N-O, of oxiconazole 6 is in an inverted atomic sequence, were synthesized and tested for their antifungal activities. Among them, the type 7 compounds, such as the N-ethoxy-morpholino-substituted derivatives 71-o (Table 1), showed good antifungal properties against the Candida strains tested, with minimum inhibitory concentration (MIC) values similar to those of the reference drug 6. A remarkable result was obtained with these types of azoles, which had shown a cidal character against Candida albicans, while the reference drug oxiconazole was only fungistatic in the same tests. This fact may be seen from a comparison of the MIC values with those of the minimum fungicidal concentration (MFC) values for most of the type 7 compounds assayed that have shown differences between the MIC and the MFC, which are lower than three double diluitions. A simple molecular modeling of the P450 14-alpha-sterol demethylase from C. albicans (Candida P450DM) was built in order to understand how the structural differences between type 7 compounds and oxiconazole 6 can induce different antifungal profiles. The results of this work seem to confirm that it is possible to reverse the atomic sequence of the methyleneaminoxy group, C=N-O, of 6, obtaining new imidazoles possessing good antifungal properties.
• AZACYCLIC SPIRO DERIVATIVES
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2507239B1

  公开（公告）日：2019-03-13