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2,4-dimethoxybutyrophenone | 6703-00-0

中文名称
——
中文别名
——
英文名称
2,4-dimethoxybutyrophenone
英文别名
2,4-Dimethoxy-butyrophenon;2',4'-Dimethoxybutyrophenone;1-(2,4-dimethoxyphenyl)butan-1-one
2,4-dimethoxybutyrophenone化学式
CAS
6703-00-0
化学式
C12H16O3
mdl
——
分子量
208.257
InChiKey
XKHLHUQRSMTRPT-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):
    2.4
  • 重原子数:
    15
  • 可旋转键数:
    5
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.42
  • 拓扑面积:
    35.5
  • 氢给体数:
    0
  • 氢受体数:
    3

安全信息

  • 海关编码:
    2914509090

SDS

SDS:64a505418a837847d7b3939bd8e6f493
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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

  • 作为反应物:
    描述:
    2,4-dimethoxybutyrophenone 在 palladium on activated charcoal sodium tetrahydroborate 、 三氯化铝氢气三溴化硼potassium carbonate溶剂黄146 、 potassium iodide 作用下, 以 甲醇二氯甲烷丁酮 为溶剂, -18.0~25.0 ℃ 、206.84 kPa 条件下, 反应 40.67h, 生成 4-(4-cyanobutoxy)-5-butyl-2-hydroxyacetophenone
    参考文献:
    名称:
    白三烯B4受体拮抗剂:LY255283系列羟基苯乙酮。
    摘要:
    制备了一系列羟基苯乙酮作为白三烯B4(LTB4)受体拮抗剂进行评估,最终以1- [5-乙基-2-羟基-4-[[6-甲基-6-(1H-四唑-5-基)庚基] [氧基]苯基]乙酮(化合物35,LY255283)。使用抑制特异性[3H] LTB4与人PMN结合的测定方法,我们发现活性需要5位非极性取代基的取代。最佳活性是通过3位氢,2位羟基,1位短链烷基酮以及将4位氧与不饱和末端相连的六碳或八碳链实现的功能。选择在结合试验中IC50为87 nM的化合物35进行进一步的临床前评估。
    DOI:
    10.1021/jm00088a018
  • 作为产物:
    描述:
    2-溴丙烯2,4-二甲氧基苯甲醛acetylacetonatodicarbonylrhodium(l)potassium formatepotassium carbonate三苯基膦 作用下, 以 乙二醇二甲醚 为溶剂, 反应 16.0h, 以89%的产率得到2,4-dimethoxybutyrophenone
    参考文献:
    名称:
    通过区域发散铑催化的乙烯基溴还原偶联-由甲酸盐介导的氧化还原异构化将醛转化为支链或直链酮
    摘要:
    描述了一种用于将醛直接转化为支链或直链烷基酮的区域发散催化方法。P tBu2Me 修饰的铑配合物催化甲酸盐介导的醛-溴乙烯还原偶联-氧化还原异构化,形成支链酮。使用不太强的配位配体 PPh3 可促进乙烯基到烯丙基铑的异构化,从而生成线性酮。这种方法绕过了通常用于将醛转化为酮的 3 步序列,包括将预金属化试剂添加到 Weinreb 或吗啉酰胺。
    DOI:
    10.1021/jacs.9b03113
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文献信息

  • [EN] ALPHA-AMINO BORONIC ACID DERIVATIVES, SELECTIVE IMMUNOPROTEASOME INHIBITORS<br/>[FR] DÉRIVÉS D'ACIDE ALPHA-AMINO BORONIQUE, INHIBITEURS SÉLECTIFS DE L'IMMUNOPROTÉASOME
    申请人:ARES TRADING SA
    公开号:WO2013092979A1
    公开(公告)日:2013-06-27
    The present invention provides compounds of Formula (I) as inhibitors of LMP7 for the treatment of autoimmune and inflammatory diseases. In formula (I), Rb and Rc are independently selected from one another from H or C1-C6-alkyl; whereby Rb and Rc may be linked to form a 5 or 6 membered-ring containing the oxygen atoms to which they are linked; Q denotes Ar, Het or cycloalkyl; R1 R2 independently from each other denotes H, ORa, Hal, C1-C6-alkyl wherein 1 to 5 H atoms may be independently replaced by OH or Hal; Y denotes CR 3R4, preferably CH2 or C(CH3)2; R 3, R4 independently of one another denote H or C1-C6-alkyl; L denotes L1 or L2 or alkyl; n is an integer selected from 0 to 3; L 1 is Q1-CO-M- wherein Q 1 is Ar or Het, preferably, phenyl, naphthyl or pyridine, optionally substituted with 1 to 5 groups independently selected from ORa, Hal, phenyl, and C1-C6-alkyl wherein 1 to 5 H atoms may be independently replaced by OH or Hal; L2 is Q2-M- wherein Q 2 is a fused bicyclic system containing 1 nitrogen atom and 1 to 3 additional groups independently selected from O, S, N, or CO, and wherein at least one of the rings is aromatic whereby the fused bicyclic system is optionally substituted with 1 to 5 groups independently selected from ORa, Hal, phenyl, and C1-C6-alkyl wherein 1 to 5 H atoms may be independently replaced by OH or Hal; or Q 2 is unsaturated or aromatic 5 membered-ring system containing 1 to 3 heteroatoms selected from N, O, S and CO, and optionally substituted with a phenyl ring or pyridine ring whereby phenyl ring and pyridine ring are optionally substituted with 1 to 4 groups independently selected from ORa, Hal, phenyl, and C1-C6-alkyl wherein 1 to 5 H atoms may be independently replaced by OH or Hal; M is a linear or branched alkylene having 1 to 5 carbon atoms wherein 1 or 2 H atoms may be replaced by OR a or a phenyl ring optionally substituted with 1 to 5 groups independently selected from Hal, ORa, and C1-C6-alkyl optionally substituted with 1 to 5 groups independently selected from OH, and Hal; or M denotes a cycloalkylene having 3 to 7 carbon atoms; or M denotes a thiazolidinyl group; R a is H or C1-C6-alkyl wherein 1 to 5 H atom may be independently replaced by OH or Hal; Ar denotes a 6 membered-aromatic carbocyclic ring optionally fused with another carbocyclic saturated, unsaturated or aromatic ring having 5 to 8 carbon atoms; Het denotes a 5- or 6-membered saturated, unsaturated or aromatic heterocyclic ring having 1 to 3 heteroatoms independently selected from N, N+O-, O, S, SO, and SO 2, and optionally fused with another saturated, unsaturated or aromatic ring having 5 to 8 atoms and optionally containing 1 to 3 heteroatoms selected from N, O, and S; Hal denotes CI, Br, I of F; preferably CI or F.
    本发明提供了化合物的公式(I)作为LMP7的抑制剂,用于治疗自身免疫和炎症性疾病。在公式(I)中,Rb和Rc分别独立地从H或C1-C6-烷基中选择;其中Rb和Rc可以连接形成一个含有它们连接的氧原子的5或6元环;Q表示Ar,Het或环烷基;R1和R2彼此独立地表示H,ORa,Hal,C1-C6-烷基,其中1到5个H原子可以独立地被OH或Hal替换;Y表示CR 3R4,优选CH2或C(CH3)2;R3,R4彼此独立地表示H或C1-C6-烷基;L表示L1或L2或烷基;n是从0到3选择的整数;L1是Q1-CO-M-,其中Q1是Ar或Het,优选苯基,萘基或吡啶基,可选地取代为1到5个从ORa,Hal,苯基和C1-C6-烷基中独立选择的基团,其中1到5个H原子可以独立地被OH或Hal替换;L2是Q2-M-,其中Q2是含有1个氮原子和1到3个额外基团的融合双环系统,独立选择自O,S,N或CO,其中至少一个环是芳香环,融合双环系统可选地取代为1到5个从ORa,Hal,苯基和C1-C6-烷基中独立选择的基团,其中1到5个H原子可以独立地被OH或Hal替换;或Q2是不饱和或芳香的含有1到3个从N,O,S和CO中选择的杂原子的5元环系统,并可选地取代为苯环或吡啶环,其中苯环和吡啶环可选地取代为1到4个从ORa,Hal,苯基和C1-C6-烷基中独立选择的基团,其中1到5个H原子可以独立地被OH或Hal替换;M是具有1到5个碳原子的线性或支链烷基,其中1或2个H原子可以被ORa或可选地取代为1到5个从Hal,ORa和C1-C6-烷基中独立选择的基团,可选地取代为1到5个从OH和Hal中独立选择的基团;或M表示具有3到7个碳原子的环烷基;或M表示噻唑烷基;Ra是H或C1-C6-烷基,其中1到5个H原子可以独立地被OH或Hal替换;Ar表示一个6元芳香碳环,可选地与另一个含有5到8个碳原子的碳环饱和、不饱和或芳香环融合;Het表示一个含有1到3个从N,N+O-,O,S,SO和SO2中独立选择的杂原子的5或6元饱和、不饱和或芳香杂环,可选地与另一个含有5到8个原子的饱和、不饱和或芳香环融合,并可选地含有1到3个从N,O和S中选择的杂原子;Hal表示CI,Br,I或F;优选CI或F。
  • Hf[N(SO2C8F17)2]4-catalyzed Friedel–Crafts acylation in a fluorous biphase system
    作者:Xiuhua Hao、Akihiro Yoshida、Joji Nishikido
    DOI:10.1016/j.tetlet.2005.02.065
    日期:2005.4
    In a fluorous biphase system, Hf[N(SO2C8F17)2]4 complex (1 mol %) catalyzes Friedel–Crafts acylation of aromatic compounds such as anisole, toluene and chlorobenzene, and the corresponding aromatic ketones are obtained in satisfactory to high yields. The catalyst is selectively soluble in lower fluorous phase and can be easily recovered by simple phase separation. Furthermore, the catalyst can be reused
    在氟的双相体系中,Hf [N(SO 2 C 8 F 17)2 ] 4络合物(1 mol%)催化芳族化合物(如苯甲醚,甲苯和氯苯)的Friedel-Crafts酰化反应,得到相应的芳族酮对高产满意。该催化剂可选择性地溶解在低氟相中,并且可以通过简单的相分离容易地回收。此外,在大多数情况下,催化剂可以重复使用而不会降低活性。
  • Substituted phenyl phenol leukotriene antagonists
    申请人:Eli Lilly and Company
    公开号:US05462954A1
    公开(公告)日:1995-10-31
    Antagonists having a substituted phenyl phenol or a substituted phenolic biphenyl structure, and various derivatives thereof, are specific leukotriene antagonists. Their structures, use and synthesis are disclosed. Also, pharmaceutical formulations are disclosed for use in applications treating diseases or conditions characterized by excessive release of leukotriene B.sub.4, one of the metabolites of arachidonic acid. The primary LTB.sub.4 antagonistic structures are represented as: ##STR1##
    具有取代苯酚或取代酚联苯结构以及各种衍生物的拮抗剂是特定的白三烯拮抗剂。它们的结构、用途和合成已被披露。此外,还公开了用于治疗由花生四烯酸代谢物之一白三烯B.sub.4过度释放所特征的疾病或症状的药物配方。主要的LTB.sub.4拮抗结构表示为:##STR1##
  • Leukotriene antagonists for use in the treatment or prevention of alzheimer's disease
    申请人:ELI LILLY AND COMPANY
    公开号:EP0743064A1
    公开(公告)日:1996-11-20
    This invention provides methods for the treatment or prevention of Alzheimer's disease which comprises administering to a mammal in need thereof an effective amount of a compound having activity as a leukotriene antagonist.
    这项发明提供了治疗或预防阿尔茨海默病的方法,包括向需要的哺乳动物施用具有白三烯拮抗活性的化合物的有效量。
  • Anti-inflammatory agents
    申请人:Eli Lilly and Company
    公开号:US04945099A1
    公开(公告)日:1990-07-31
    This invention provides benzene derivatives, pharmaceutical formulations of those derivatives, and a method of using the derivatives for the treatment of inflammation in mammals.
    该发明提供苯衍生物,这些衍生物的药物配方,以及使用这些衍生物治疗哺乳动物炎症的方法。
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