(1,1-二氟丙基)苯 | 74185-83-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: (1,1-二氟丙基)苯
• 中文别名: (1,1-二氟丙基)-苯
• 英文名称: 1,1-Difluoro-1-phenylpropane
• 英文别名: (1,1-difluoropropyl)benzene；1,1-difluoropropylbenzene
• CAS: 74185-83-4
• 化学式: C₉H₁₀F₂
• 分子量: 156.175
• InChiKey: MLVUDABJOWVGGC-UHFFFAOYSA-N

物化性质

• 沸点：
  170.2±25.0 °C(Predicted)
• 密度：
  1.037±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2903999090

反应信息

• 作为反应物：
  描述：

  (1,1-二氟丙基)苯 在 三乙烯二胺 、 ytterbium(III) oxide 、 碳酸氢钠 作用下， 以95%的产率得到苯丙酮
  参考文献：
  名称：

  CF3-化合物对邻羟基亚芳基氨基酮的机械化学脱氟酰化：3-酰基色酮的合成

  摘要：

  已经开发出一种用于邻羟基亚芳基氨基酮的机械化学脱氟酰化的替代策略，通过在氧化镱（Yb 2 O 3）存在下激活三氟甲基的CF键，利用CF 3化合物合成3-酰基色酮。当前的方案可耐受多种偶联底物，以在机械化学诱导的多米诺骨牌环化模式下访问不同取代的 3-酰基色酮库。这是第一份关于惰性CF 3基团在机械化学条件下脱氟转化为相应羰基官能团的报告。

  DOI：

  10.1002/adsc.202300260
• 作为产物：
  描述：

  1-苯基亚丙基肼 在 iodine monofluoride 作用下， 以 氯仿 为溶剂， 反应 0.5h， 以50%的产率得到(1,1-二氟丙基)苯
  参考文献：
  名称：

  Conversion of the carbonyl group to CF2 using iodine monofluoride (IF)

  摘要：

  A novel method for the transformation of CO --> CF2 is described. The easily made hydrazone derivatives of the carbonyl moiety are reacted under mild conditions with IF prepared directly from the corresponding elements. Various hydrazones have been examined and compared with each other. Unsubstituted ones are usually the most suitable although they are not always easy to purify and store. N-Methyl- and N,N-dimethylhydrazones also give quite satisfactory results. The more easily made dinitrophenyl hydrazones (DNPs), semicarbazones, and tosylhydrazones also react, but the yields of the desired CF2 compounds are usually lower. Oximes could also be successfully reacted. The two main byproducts of the reaction are the parent carbonyl compounds, which can be recycled, and the alpha-iododifluoro derivatives. The latter upon treatment with LiAlH4 or Bu3SnH were reduced to the desired product, thus increasing the overall yields.

  DOI：

  10.1021/jo00015a024

文献信息

• Selective C–F Functionalization of Unactivated Trifluoromethylarenes
  作者：David B. Vogt、Ciaran P. Seath、Hengbin Wang、Nathan T. Jui

  DOI：10.1021/jacs.9b06004

  日期：2019.8.21

  Fluorinated organic molecules are pervasive within the pharmaceutical and agrochemical industries due to the range of structural and physicochemical properties that fluorine imparts. To date, the most abundant methods for the synthesis of the aryl CF2-functionality have relied on the deoxyfluorination of ketones and aldehydes using expensive and poorly atom economical reagents. Here, we report a general

  由于氟赋予的结构和物理化学性质的范围，氟化有机分子在制药和农业化学工业中普遍存在。迄今为止，合成芳基 CF2 官能团的最丰富的方法依赖于使用昂贵且原子经济性差的试剂对酮和醛进行脱氧氟化。在这里，我们报告了通过激活相应的三氟甲基芳烃前体合成芳基-CF2R 和芳基-CF2H 化合物的一般方法。这种策略是通过吸能电子转移事件实现的，该事件提供了对位于催化剂还原电位之外的芳烃自由基阴离子的访问。
• [EN] SUBSTITUTED CYCLIC AMIDES AND THEIR USE AS HERBICIDES<br/>[FR] AMIDES CYCLIQUES SUBSTITUÉS ET LEUR UTILISATION EN TANT QU'HERBICIDES
  申请人：DU PONT

  公开号：WO2016196593A1

  公开（公告）日：2016-12-08

  Disclosed are compounds of Formula 1, N-oxides of the compounds and salts of the compounds and N-oxides: wherein R1, R2, R3, R4, R5, R6, Q1, Q2, J, YI and Y2 are as defined in the disclosure. Also disclosed are compositions containing the compounds, N-oxides and salts, and methods for controlling undesired vegetation comprising contacting the undesired vegetation or its environment with an effective amount of such a compound, N-oxide, salt or composition.

  本公开了Formula 1的化合物，该化合物的N-氧化物和盐以及化合物和N-氧化物的盐：其中R1、R2、R3、R4、R5、R6、Q1、Q2、J、Y1和Y2如披露中所定义。还公开了含有这些化合物、N-氧化物和盐的组合物，以及用于控制不受欢迎的植被的方法，包括将不受欢迎的植被或其环境与这种化合物、N-氧化物、盐或组合物的有效量接触。
• [EN] IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE<br/>[FR] COMPOSÉS DE TYPE DIOXYDE D'IMINO-THIADIAZINE UTILISÉS EN TANT QU'INHIBITEURS DE BACE, COMPOSITIONS EN CONTENANT ET LEUR UTILISATION
  申请人：SCHERING CORP

  公开号：WO2011044187A1

  公开（公告）日：2011-04-14

  In its many embodiments, the present invention provides provides certain iminothiadiazine dioxide compounds, including compounds Formula (a) and include tautomers, solvates, prodrugs, esters, and deuterates thereof, and pharmaceutically acceptable salts of said compounds, tautomers, solvates, prodrugs, esters, and deuterates, wherein each of R1, R2, R3, R4, R5, R9, ring A, ring B, ring C, m, n, p, q, -L1-, -L2-,L3-, and L4- is selected independently and as defined herein. The compounds of the invention have, surprisingly and advantageously, improved solution stability. Pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other active agents), and methods for their preparation and use in treating pathologies associated with amyloid beta (Aβ) protein, including Alzheimers Disease, are also disclosed.

  在其多种实施方式中，本发明提供了某些咪唑二氧化硫化合物，包括化合物的结构式(a)以及其互变异构体、溶剂合物、前药、酯类和氘代物，以及所述化合物、互变异构体、溶剂合物、前药、酯类和氘代物的药用可接受盐，其中R1、R2、R3、R4、R5、R9、环A、环B、环C、m、n、p、q、-L1-、-L2-、L3-和L4-中的每一个都是独立选择并在此定义。本发明的化合物具有出乎意料且有利的改善溶液稳定性。还披露了包含一个或多个这种化合物的药物组合物（单独和与一个或多个其他活性剂的组合），以及其制备和用于治疗与淀粉样蛋白β（Aβ）蛋白相关的病理的方法，包括阿尔茨海默病。
• [EN] TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS<br/>[FR] DÉRIVÉS D'ÉTHER DE TRIAZOLOPYRIDINE ET LEUR UTILISATION CONTRE DES TROUBLES NEUROLOGIQUES ET PYSCHIATRIQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015042243A1

  公开（公告）日：2015-03-26

  The disclosure generally relates to compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds modulate the mGluR2 receptor and may be useful for the treatment of various disorders of the central nervous system.

  该披露通常涉及到I式化合物，包括它们的盐，以及使用这些化合物的组合物和方法。这些化合物调节mGluR2受体，可能有助于治疗中枢神经系统的各种疾病。
• gem-Difluorination of 1,3-dithiolanes with the hexafluoropropene-diethylamine reagent and N-iodosuccinimide or 1,3-dibromo-5,5-dimethylhydantoin
  作者：Makoto Shimizu、Takashi Maeda、Tamotsu Fujisawa

  DOI：10.1016/0022-1139(94)03187-5

  日期：1995.3

  gem-Difluoro compounds are readily prepared from 1,3-dithiolanes in good yield on treatment with hexafluoropropene-diethylamine/1,3-dibromo-5,5-dimethylhydantoin or /N-iodosuccinimide/water.

  通过用六氟丙烯-二乙胺/ 1，3-二溴-5，5-二甲基乙内酰脲或N-碘代琥珀酰亚胺/水处理，可以容易地由1，3-二硫杂环戊烷以高收率制备宝石-二氟化合物。