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(1E)-1-methoxypent-1-en-3-one | 56279-28-8

中文名称
——
中文别名
——
英文名称
(1E)-1-methoxypent-1-en-3-one
英文别名
(E)-1-methoxy-pent-1-en-3-one;(E)-1-methoxy-1-penten-3-one;(E)-1-methoxypent-1-en-3-one;1t-methoxy-pent-1-en-3-one
(1E)-1-methoxypent-1-en-3-one化学式
CAS
56279-28-8
化学式
C6H10O2
mdl
——
分子量
114.144
InChiKey
QOHMGJABWHDJCY-SNAWJCMRSA-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

物化性质

  • 沸点:
    94 °C(Press: 15 Torr)
  • 密度:
    0.915±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    0.6
  • 重原子数:
    8
  • 可旋转键数:
    3
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    26.3
  • 氢给体数:
    0
  • 氢受体数:
    2

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:
    (1E)-1-methoxypent-1-en-3-one 在 sodium tetrahydroborate 、 二甲基硫 、 lithium di-n-2-methyl-1-propylborohydride 、 三氟化硼乙醚四丁基氟化铵sodium 、 sodium hydride 、 三乙胺间氯过氧苯甲酸 作用下, 以 四氢呋喃乙醚乙醇二氯甲烷 为溶剂, 反应 3.17h, 生成 methyl (+/-)-2,4,6,8,10-pentadeoxy-4,6,8,10-tetramethyl-3-O-methyl-7,9-O-(1-methylethylidene)-1-thio-D-manno-β-L-galacto-undecopyranoside
    参考文献:
    名称:
    Expeditious synthesis of the polypropionate sector of rifamycin S by reiterative Diene-Aldehyde cyclocondensation reactions
    摘要:
    DOI:
    10.1021/ja00237a037
  • 作为产物:
    描述:
    1,1-二甲氧基戊烷-3-酮sodium methylate 作用下, 以 甲苯 为溶剂, 以85%的产率得到(1E)-1-methoxypent-1-en-3-one
    参考文献:
    名称:
    隐藻霉素的立体定向合成1。
    摘要:
    [反应:见正文]描述了隐藻霉素1的简短立体定向合成,其中(R)-扁桃酸是单元A不对称的唯一来源。关键步骤是异Diels-Alder环加成反应。
    DOI:
    10.1021/ol020001r
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文献信息

  • [EN] FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES FUSIONNÉS ET LEUR UTILISATION
    申请人:TAKEDA PHARMACEUTICAL
    公开号:WO2009136663A1
    公开(公告)日:2009-11-12
    The present invention provides a fused heterocyclic derivative having a strong kinase inhibitory activity and use thereof. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the present specification, or a salt thereof.
    本发明提供了一种具有强烈激酶抑制活性的融合杂环衍生物及其用途。本发明涉及本说明书中所定义的符号表示的化合物,或其盐。
  • FE(III) COMPLEX COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANEMIAS
    申请人:Bark Thomas
    公开号:US20140162994A1
    公开(公告)日:2014-06-12
    The invention relates to iron(III) complex compounds and pharmaceutical compositions comprising them for the use as medicaments, in particular for the treatment and/or prophylaxis of iron deficiency symptoms and iron deficiency anemias.
    该发明涉及铁(III)配合物和包括它们的药物组合物,用作药物,特别是用于治疗和/或预防缺铁症状和缺铁性贫血。
  • Total synthesis of dl-chamaecynone, a termiticidal norsesquiterpene.
    作者:TAKASHI HARAYAMA、HIDETSURA CHO、YASUO INUBUSHI
    DOI:10.1248/cpb.26.1201
    日期:——
    The total synthesis of dl-chamaecynone (1), which has termiticidal activity, has been accomplished. The key compound (30a), which has the same four chiral centers as chamaecynone (1), was obtained in a single step by taking advantage of the Diels-Alder reaction of 5-ethynyl-2-methylcyclohex-2-en-1-one (3) with 1-methoxy-3-trimethylsiloxy-1, 3-pentadiene (4). The stereostructure of the major adduct of the Diels-Alder reaction was determined to be the formula (30a) by INDOR experiment. The compound (30a) was converted in four steps into dl-chamaecynone. The preliminary examinations of the Diels-Alder reaction of trans-1-methoxy-3-trimethylsiloxy-1, 3-butadiene (2) with l-carvone and the compound (3) were also carried out, respectively.
    已成功完成具有白蚁杀灭活性的dl-chamaecynone(1)的全合成。关键化合物(30a)通过5-乙炔基-2-甲基环己烯-2-酮(3)与1-甲氧基-3-三甲基硅氧基-1,3-戊二烯(4)的Diels-Alder反应,在一步中获得,其具有与chamaecynone(1)相同的四个手性中心。通过INDOR实验确定了Diels-Alder反应主要产物的立体结构为化学式(30a)。化合物(30a)经过四步反应转化为dl-chamaecynone。还分别对trans-1-甲氧基-3-三甲基硅氧基-1,3-丁二烯(2)与l-carvone和化合物(3)的Diels-Alder反应进行了初步研究。
  • Process for the preparation of furan compounds
    申请人:Ishii Yasutaka
    公开号:US20070197806A1
    公开(公告)日:2007-08-23
    A carbonyl compound represented by following Formula (1): wherein R 1 represents hydrogen atom or an organic group; and R 2 represents hydrogen atom or an organic group having a carbon atom at a bonding site with the carbonyl group in Formula (1), wherein R 1 and R 2 may be combined to form a ring with adjacent two carbon atoms, or an equivalent thereof is reacted with an unsaturated compound represented by following Formula (2): wherein each of R 3 , R 4 , and R 5 represents hydrogen atom, a halogen atom, hydroxyl group, or an organic group and wherein R 3 and R 4 may be combined to form a ring with adjacent two carbon atoms, or a precursor thereof, to yield a furan compound represented by following Formula (3): wherein R 3 ′ represents R 3 , R 5 or hydrogen atom; and R 1 , R 2 , R 3 , R 4 , are R 5 are as defined above.
    以以下公式(1)表示的一个羰基化合物: 其中R1代表氢原子或一个有机基团;R2代表氢原子或一个有机基团,在公式(1)中与羰基团在键合位点上有一个碳原子,其中R1和R2可以结合形成与相邻两个碳原子的环,或其等效物与以下公式(2)表示的不饱和化合物发生反应: 其中每个R3、R4和R5代表氢原子、卤素原子、羟基或一个有机基团,其中R3和R4可以结合形成与相邻两个碳原子的环,或其前体,以产生以下公式(3)表示的呋喃化合物: 其中R3'代表R3、R5或氢原子;而R1、R2、R3、R4和R5如上定义。
  • 2-Pyridone derivatives as inhibitors of neutrophile elastase
    申请人:Bladh Hakan
    公开号:US20060035938A1
    公开(公告)日:2006-02-16
    There are provided novel compounds of formula (I) wherein R 1?, R 4?. R 5?, G 1?, G 2?, X, L, Y 1?, Y 2? and n are as defined in the Specification and optical isomers, racemates and tautomers thereof, and pharmaceutically acceptable salts thereof; together with processes for their preparation, compositions containing them and their use in therapy. The compounds are inhibitors or neutrophil elastase.
    提供了式(I)的新化合物,其中R1?,R4?,R5?,G1?,G2?,X,L,Y1?,Y2?和n如规范中所定义,以及其光学异构体,外消旋体和互变异构体,以及药学上可接受的盐;以及它们的制备过程,含有它们的组合物和它们在治疗中的应用。这些化合物是中性粒细胞弹性蛋白酶的抑制剂。
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