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4-propylphenylacetyl chloride

中文名称
——
中文别名
——
英文名称
4-propylphenylacetyl chloride
英文别名
(4-Propylphenyl)acetylchloride;2-(4-propylphenyl)acetyl chloride
4-propylphenylacetyl chloride化学式
CAS
——
化学式
C11H13ClO
mdl
——
分子量
196.677
InChiKey
AEJUXMQJFZEFAY-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3.7
  • 重原子数:
    13
  • 可旋转键数:
    4
  • 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

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    4-propylphenylacetyl chloride三乙基硅烷三氯化铝 作用下, 以 三氟乙酸 为溶剂, 生成 4-bromo-2-fluoro-1-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
    参考文献:
    名称:
    Fearon, J. E.; Gray, G. W.; Ifill, A. D., Molecular Crystals and Liquid Crystals (1969-1991), 1985, vol. 124, p. 89 - 104
    摘要:
    DOI:
  • 作为产物:
    描述:
    4-丙基苯乙酸氯化亚砜N,N-二甲基甲酰胺 作用下, 以 二氯甲烷 为溶剂, 反应 3.0h, 生成 4-propylphenylacetyl chloride
    参考文献:
    名称:
    闭环烯烃-烯烃交叉偶联反应合成大内酰胺
    摘要:
    本文报道的是一种通过Rh(III)催化的闭环烯烃-烯烃交叉偶联反应合成大内酰胺的实用方法。反应是通过Rh催化的烯基sp 2 C–H活化过程进行的,该过程允许接触不同环大小的大环分子。含有共轭二烯骨架的大内酰胺可以很容易地以高化学选择性和Z,E立体选择性制备。
    DOI:
    10.1021/acs.orglett.0c03801
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文献信息

  • [EN] SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS<br/>[FR] DÉRIVÉS 4,5,6,7-TÉTRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE SUBSTITUÉS ET DÉRIVÉS 5,6,7,8-TÉTRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZÉPINE UTILISÉS COMME INHIBITEURS DE ROS1
    申请人:JANSSEN PHARMACEUTICA NV
    公开号:WO2015144799A1
    公开(公告)日:2015-10-01
    The present invention relates to substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives of formula (I) wherein the variables have the meaning defined in the claims. The compounds according to the present invention are useful as ROS 1 inhibitors. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.
    本发明涉及取代的4,5,6,7-四氢吡唑并[1,5-a]吡嗪衍生物和5,6,7,8-四氢-4H-吡唑并[1,5-a][1,4]二氮杂环衍生物的公式(I)中的变量具有权利要求中定义的含义。根据本发明的化合物可用作ROS 1抑制剂。本发明还涉及制备这种新化合物的方法,包含所述化合物作为活性成分的药物组合物,以及将所述化合物用作药物的用途。
  • Fluorine-substituted benzene derivative, liquid-crystal composition, and liquid-crystal display element
    申请人:Chisso Corporation
    公开号:US06210603B1
    公开(公告)日:2001-04-03
    Liquid crystalline compounds are provided which have an extremely high voltage holding ratio, altered only slightly by change of temperature, and which have a low threshold voltage and a high &Dgr;n. Also provided are liquid crystal compositions containing the liquid crystalline compound; and liquid crystal display devices containing the liquid crystal composition. The liquid crystalline compound is expressed by the general formula (1) wherein R, Y1 to Y16, X and Z1 to Z3 are defined in claim 1.
    提供了具有极高电压保持比的液晶化合物,其仅在温度变化时略有改变,并具有低阈值电压和高&Dgr;n。还提供了含有该液晶化合物的液晶组合物;以及含有液晶组合物的液晶显示装置。液晶化合物由一般式(1)表示,其中R、Y1至Y16、X和Z1至Z3在权利要求1中定义。
  • Tolan compound and liquid crystal composition containing the same
    申请人:CHISSO CORPORATION
    公开号:EP0308747A2
    公开(公告)日:1989-03-29
    A liquid crystal substance having a low viscosity and good compatibility thereof with existing liquid crystals at low temperatures in addition to a large optical anisotropy value and a high clearing point and a liquid crystal composition containing the substance are provided, which substance is a 4-(trans-4-alkyl­cyclohexylmethyloxy)-4′-substituted-tolan expressed by the formula wherein R¹ is 1 - 10C alkyl and R² is 1 - 10C alkyl or alkoxy or F or Cℓ.
    本发明提供了一种液晶物质,除了具有较大的光学各向异性值和较高的澄明点外,还具有低粘度和在低温下与现有液晶的良好兼容性,以及含有该物质的液晶组合物,该物质是一种 4-(反式-4-烷基环己基甲基氧基)-4′-取代-托兰,其表达式为 其中 R¹ 为 1 - 10C 烷基,R² 为 1 - 10C 烷基或烷氧基或 F 或 Cℓ。
  • FLUORINE-SUBSTITUTED BENZENE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT
    申请人:CHISSO CORPORATION
    公开号:EP0949231A1
    公开(公告)日:1999-10-13
    Provided are liquid crystalline compounds which have an extremely high voltage holding ratio, are considerably small in its alteration caused by the change of temperature, and have a low threshold voltage and a high Δn; liquid crystal compositions comprising the liquid crystalline compound; and liquid crystal display devices fabricated by using the liquid crystal composition; the liquid crystalline compound is expressed by the general formula (1) wherein R represents an alkyl group having 1 to 20 carbon atoms in which alkyl group any not-adjacent methylene group (-CH2-) may be replaced by oxygen (-O-) atom; Y1 to Y16 independently represent hydrogen atom or fluorine atom, but at least three of them are fluorine atoms, provided that in no case three or more hydrogen atoms of one 1,4-phenylene group are replaced by fluorine atom; X represents a halogen atom or an alkyl group having 1 to 20 carbon atoms in which alkyl group any not-adjacent methylene group may be replaced by oxygen atom, and any hydrogen atom in the alkyl group may be replaced by fluorine atom; Z1, Z2, and Z3 independently represent -(CH2)2-, -(CH2)4-, -CH2O-, -OCH2-, -(CH2)3O-, -O(CH2)3-, or single bond; and any atom which constitutes this compound may be replaced by its isotope; provided that when X = -OCF2CF2H, Z1 = Z3 = single bond, and Z2 = -(CH2)2-, in no case Y6 = Y10 = Y12 = F, and Y1 to Y5 = Y7 to Y9 = Y11 = Y13 to Y16 = H; Y2 = Y10 = Y12 = F, and Y1 = Y3 to Y9 = Y11 = Y13 to Y16 = H; or Y2 = Y4 = Y10 = Y12 = F, and Y1 = Y3 = Y5 to Y9 = Y11 = Y13 to Y16 = H.
    本发明提供了具有极高电压保持率、温度变化对其影响极小、阈值电压低且Δn 高的液晶化合物;包含该液晶化合物的液晶组合物;以及使用该液晶组合物制造的液晶显示设备; 液晶化合物由通式(1)表示 其中 R 代表具有 1 至 20 个碳原子的烷基,在该烷基中,任何不相邻的亚甲基(-CH2-)可被氧原子(-O-)取代;Y1 至 Y16 独立地代表氢原子或氟原子,但其中至少有三个是氟原子,条件是在任何情况下,一个 1,4-亚苯基基团的三个或三个以上氢原子都不能被氟原子取代;X 代表卤素原子或具有 1 至 20 个碳原子的烷基,在该烷基中,任何不相邻的亚甲基可被氧原子取代,烷基中的任何氢原子可被氟原子取代;Z1、Z2 和 Z3 独立地代表-(CH2)2-、-(CH2)4-、-CH2O-、-OCH2-、-(CH2)3O-、-O(CH2)3- 或单键;构成该化合物的任何原子可被其同位素取代;但当 X = -OCF2CF2H、Z1 = Z3 = 单键和 Z2 = -(CH2)2- 时,在任何情况下均不得 Y6 = Y10 = Y12 = F,Y1 至 Y5 = Y7 至 Y9 = Y11 = Y13 至 Y16 = H; Y2 = Y10 = Y12 = F,且 Y1 = Y3 至 Y9 = Y11 = Y13 至 Y16 = H;或 Y2 = Y4 = Y10 = Y12 = F,Y1 = Y3 = Y5 至 Y9 = Y11 = Y13 至 Y16 = H。
  • GOTO, YASUYUKI;SUDZUKI, TOSIXARU
    作者:GOTO, YASUYUKI、SUDZUKI, TOSIXARU
    DOI:——
    日期:——
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