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4-bromo-2-(cyclopropylmethoxy)-1-(difluoromethoxy)benzene | 680184-55-8

中文名称
——
中文别名
——
英文名称
4-bromo-2-(cyclopropylmethoxy)-1-(difluoromethoxy)benzene
英文别名
1-bromo-3-cyclopropylmethoxy-4-difluoromethoxybenzene;4-bromo-2-cyclopropylmethoxy-1-difluoromethoxybenzene
4-bromo-2-(cyclopropylmethoxy)-1-(difluoromethoxy)benzene化学式
CAS
680184-55-8
化学式
C11H11BrF2O2
mdl
——
分子量
293.108
InChiKey
LEYXMSBOJBTNMH-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):
    4.3
  • 重原子数:
    16
  • 可旋转键数:
    5
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.45
  • 拓扑面积:
    18.5
  • 氢给体数:
    0
  • 氢受体数:
    4

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
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

点击查看最新优质反应信息

文献信息

  • Decarboxylative Trifluoromethylating Reagent [Cu(O<sub>2</sub> CCF<sub>3</sub> )(phen)] and Difluorocarbene Precursor [Cu(phen)<sub>2</sub> ][O<sub>2</sub> CCF<sub>2</sub> Cl]
    作者:Xiaoxi Lin、Chuanqi Hou、Haohong Li、Zhiqiang Weng
    DOI:10.1002/chem.201504306
    日期:2016.2.5
    exhibited a linear relationship and a reaction parameter (ρ)=+0.56±0.02, which indicated that the trifluoromethylation reaction proceeded via a nucleophilic reactive species. Complex 2 reacts with phenols to produce aryl difluoromethyl ethers in modest‐to‐excellent yields. Mechanistic investigations revealed that the difluoromethylation reaction proceeds by initial copper‐mediated formation of difluorocarbene
    本文介绍了一种新型的经济型脱羧三氟甲基化试剂[Cu(phen)(O 2 CCF 3)](1 ; phen = 1,10-菲咯啉)和有效的二氟卡宾前体[Cu(phen)2 ] [O 2 CCF 2 Cl ](2)。用苯酚处理叔丁醇铜,然后加入三氟乙酸或氯二氟乙酸,分别提供了空气稳定的络合物1和2,其特征在于X射线晶体学分析。在铜(I)离子1由二齿配位体啉,单齿三氟乙基,和CH的分子配位扭曲的四面体配位几何形状的3 CN。的分子结构2采用的是由一个的离子形式[铜(phen)的2 ] +阳离子和氯二氟乙一个阴离子。配合物1与各种芳基和杂芳基卤化物反应以高收率形成三氟甲基(杂)芳烃。相应的哈米特图显示出线性关系和反应参数(ρ)= + 0.56±0.02,这表明三氟甲基化反应是通过亲核反应性物质进行的。复杂2与酚反应生成芳基二氟甲基醚,产率中等至优异。机理研究表明,二氟甲基化反应是通过最初的铜介导的
  • 罗氟司特的合成方法
    申请人:安润医药科技(苏州)有限公司
    公开号:CN104513196B
    公开(公告)日:2017-05-31
    本发明提供了一种罗氟司特的合成方法,包括以下步骤:(a)在有机溶剂中,化合物(I)与镁或格氏试剂在回流下发生交换反应生成中间体,该中间体与二氧化碳在0~50℃下发生插羰反应,得到化合物(II);或者在有机溶剂中,化合物(I)与正丁基锂在‑90~‑70℃下发生反应生成中间体,该中间体与二氧化碳在‑90~‑70℃下发生插羰反应,得到化合物(II);(b)在有机溶剂中,步骤(a)中得到的化合物(II)与特戊酰氯或磺酰氯在0~50℃下,在碱的作用下反应生成混合酸酐中间体,该混合酸酐中间体与3,5‑二氯‑4‑氨基吡啶在0~70℃下反应得到化合物(III)罗氟司特。本发明的方法工艺路线短,避免原料和试剂成本低廉,总收率高,反应条件温和,适合工业化生产。该方法的合成路线如下:。
  • Process for production of fluoroalkoxy-substituted benzamides and their intermediates
    申请人:Albemarle Corporation
    公开号:US06822114B1
    公开(公告)日:2004-11-23
    Roflumilast and new key intermediates therefor are prepared by processes involving use of carbonylation technology. Good overall yields can be achieved using available starting materials. The starting material for the process can be catechol, an o-R1-phenol, an o-R1-p-X-phenol, or a 1-X-3-R1-4-R2-benzene, where R1, is a C1-6 alkoxy, C3-7 cycloalkoxy, C3-7 cycloalkylmethoxy, or benzyloxy group, or a C1-4 alkoxy group which is completely or partially substituted by fluorine; R2 is a C1-4 alkoxy group which is completely or partially substituted by fluorine; and X is Cl, Br, or I.
    Roflumilast和新的关键中间体是通过使用羰基化技术制备的。使用可用的起始材料可以获得良好的总产率。该过程的起始材料可以是邻苯二酚,o-R1-苯酚,o-R1-p-X-苯酚或1-X-3-R1-4-R2-苯,其中R1是C1-6烷氧基,C3-7环烷氧基,C3-7环烷基甲氧基或苄氧基或完全或部分被氟替代的C1-4烷氧基; R2是完全或部分被氟替代的C1-4烷氧基; X是Cl,Br或I。
  • Pyrrolopyridazinone Compound
    申请人:Hagihara Masahiko
    公开号:US20090036453A1
    公开(公告)日:2009-02-05
    The present invention discloses a pyrrolopyridazinone compound represented by the formula (1): wherein R 1 represents C 1 -C 2 alkyl group or halogeno C 1 -C 2 alkyl group, R 2 repersents C 3 -C 5 cycloalkyl group, (C 3 -C 5 cycloalkyl)C 1 -C 2 alkyl group or C 1 -C 3 alkyl group, R 3 represents hydrogen atom, or methylene group or cis-vinylene group for forming substituted oxygen-containing hetero ring in combination with group —O—R 2 , R 4 represents hydrogen atom, halogen atom, C 1 -C 8 alkyl group, C 2 -C 6 alkenyl group, C 2 -C 6 alkynyl group, hydroxy C 3 -C 6 alkenyl group, hydroxy C 3 -C 6 alkynyl group, C 1 -C 6 alkyl group substituted by substituent(s) selected from Substituent group (a), C 3 -C 6 cycloalkyl group which may be substituted by substituent(s) selected from Substituent group (b), “C 1 -C 3 alkyl group which is substituted by C 3 -C 6 cycloalkyl group which may be substituted by substituent(s) selected from Substituent group (b), and which may be substituted by a hydroxy group”, an aromatic ring group or heteroaromatic ring group each of which may be substituted by a substituent(s) selected from Substituent group (c) or “C 1 -C 2 alkyl group which is substituted by aromatic ring group or heteroaromatic ring group each of which may be substituted by group(s) selected from Substituent group (c), and which may be substituted by a hydroxy group”, Substituent group (a) represents a halogen atom, hydroxy group, cyano group, carboxy group, C 1 -C 5 alkoxy group, halogeno C 1 -C 4 alkoxy group, C 3 -C 6 cycloalkoxy group, (C 3 -C 6 cycloalkyl)C 1 -C 2 alkoxy group, C 1 -C 4 alkoxycarbonyl group, C 2 -C 4 alkanoyl group, C 2 -C 4 alkanoyloxy group or C 1 -C 4 alkyl-substituted amino group, Substituent group (b) represents a hydroxy group or a halogen atom, Substituent group (c) represents a halogen atom, a hydroxy group, a cyano group, a nitro group, a carboxy group, C 1 -C 5 alkoxy group, C 1 -C 4 alkoxycarbonyl group, C 2 -C 4 alkanoyloxy group, C 1 -C 4 alkyl-substituted amino group or a C 1 -C 4 alkyl group which may be substituted by a substituent(s) selected from the group consisting of (a halogen atom, a hydroxy group and a carboxy group), or a pharmaceutically acceptable salt thereof.
    本发明公开了一种由式(1)表示的吡咯吡啶二酮化合物:其中,R1代表C1-C2烷基或卤代C1-C2烷基,R2代表C3-C5环烷基、(C3-C5环烷基)C1-C2烷基或C1-C3烷基,R3代表氢原子,或与基团-O-R2结合形成取代含氧杂环的亚甲基或顺式乙烯基,R4代表氢原子、卤素原子、C1-C8烷基、C2-C6烯基、C2-C6炔基、羟基C3-C6烯基、羟基C3-C6炔基、由从取代基团(a)中选择的取代基团取代的C1-C6烷基,可由从取代基团(b)中选择的取代基团取代的C3-C6环烷基,可由从取代基团(b)中选择的取代基团取代的C1-C3烷基,且可由羟基取代,芳香环基或杂芳香环基,每个都可由从取代基团(c)中选择的取代基团取代或由取代基团(c)选择的基团取代的C1-C2烷基,且可由羟基取代,取代基团(a)表示卤素原子、羟基、氰基、羧基、C1-C5烷氧基、卤代C1-C4烷氧基、C3-C6环烷氧基、(C3-C6环烷基)C1-C2烷氧基、C1-C4烷氧羰基、C2-C4酰基、C2-C4酰氧基或C1-C4烷基取代的氨基基团,取代基团(b)表示羟基或卤素原子,取代基团(c)表示卤素原子、羟基、氰基、硝基、羧基、C1-C5烷氧基、C1-C4烷氧羰基、C2-C4酰氧基、C1-C4烷基取代的氨基基团或可由从由卤素原子、羟基和羧基组成的基团中选择的取代基团取代的C1-C4烷基,或其药学上可接受的盐。
  • THERAPEUTIC PIPERAZINES
    申请人:Kaplan Alan P.
    公开号:US20110065691A1
    公开(公告)日:2011-03-17
    The invention includes a compound of formula I: wherein R 1 , Y, A, n, R 4 and Z have any of the values described herein, as well as salts of such compounds, compositions comprising such compounds, and therapeutic methods that comprise the administration of such compounds. The compounds are inhibitors of PDE4 function and are useful for improving cognitive function and/or treating cognitive disorders or impairment, traumatic and/or ischemic injuries of the central and peripheral nervous system and/or psychiatric disorders in animals, especially humans.
    本发明涉及公式I的化合物:其中R1,Y,A,n,R4和Z具有本文所述的任何值,以及这些化合物的盐,包含这些化合物的组合物和治疗方法,包括给予这些化合物的管理。这些化合物是PDE4功能抑制剂,对于改善认知功能和/或治疗动物(特别是人类)的认知障碍或损伤、中枢和周围神经系统的创伤性和/或缺血性损伤和/或精神障碍非常有用。
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