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5-(4-甲氧基苄氧基)-2-(羟基甲基)-4H-吡喃-4-酮 | 118708-61-5

中文名称
5-(4-甲氧基苄氧基)-2-(羟基甲基)-4H-吡喃-4-酮
中文别名
——
英文名称
5-p-methoxybenzyloxy-2-hydroxymethyl-4-pyrone
英文别名
2-(hydroxymethyl)-5-((4-methoxybenzyl)oxy)-4H-pyran-4-one;2‐(hydroxymethyl)‐5‐[(4‐methoxyphenyl)methoxy]‐4H‐pyran‐4-one;4H-Pyran-4-one, 2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]-;2-(hydroxymethyl)-5-[(4-methoxyphenyl)methoxy]pyran-4-one
5-(4-甲氧基苄氧基)-2-(羟基甲基)-4H-吡喃-4-酮化学式
CAS
118708-61-5
化学式
C14H14O5
mdl
——
分子量
262.262
InChiKey
SHHBEUOYUVPTCG-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):
    0.9
  • 重原子数:
    19
  • 可旋转键数:
    5
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.21
  • 拓扑面积:
    65
  • 氢给体数:
    1
  • 氢受体数:
    5

安全信息

  • 储存条件:
    存放在2-8℃的环境中,应保持干燥并密封。

SDS

SDS:af7e112a48ef682e7a7008e673977e99
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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
    • 1
    • 2

反应信息

  • 作为反应物:
    描述:
    参考文献:
    名称:
    3-Hydroxy-4-pyrones as Precursors of 4-Methoxy-3-oxidopyridinium Ylides. An Expeditious Entry to Highly Substituted 8-Azabicyclo[3.2.1]octanes
    摘要:
    3-Hydroxy-4-pyridones, which are easily prepared from commercially available 3-hydroxy-4-pyrones, can be readily transformed into 4-methoxy-3-oxidopyridinium ylides by treatment with methyl trifluoromethanesulfonate and subsequent deprotonation with a non-nucleophilic base. These ylides are capable of undergoing cycloaddition to several electron-deficient alkenes, thus allowing the synthesis of highly functionalized azabicyclo[3.2,1]octane moieties. The rich substitution patterns of these frameworks might allow their divergent conversion to a variety of natural and non-natural tropane alkaloids.
    DOI:
    10.1021/jo960854v
  • 作为产物:
    描述:
    4-甲氧基溴苄potassium carbonate 作用下, 以 N-甲基乙酰胺 为溶剂, 以81%.的产率得到5-(4-甲氧基苄氧基)-2-(羟基甲基)-4H-吡喃-4-酮
    参考文献:
    名称:
    Piperaziniocephalosporins
    摘要:
    公式为:##STR1##其中R.sup.1为氨基或酰氨基;R.sup.2为H或甲氧基;R.sup.3为烷基;R.sup.4为--(P--C--Q).sub.n --,其中P和Q分别为H、烷基或OH,或P和Q结合形成氧化物,n为0或4;R.sup.5为取代或未取代的羟基芳基;R.sup.6带有负电荷,为COO,或与可选择保护的羧基结合的阴离子;X为O、S或S.fwdarw.O;包含相同成分的抗菌制剂;通过使用相同的方法杀灭细菌并预防或治疗细菌感染;提供头孢菌素的合成方法。
    公开号:
    US05143910A1
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文献信息

  • Cephalosporins, processes for their preparation and pharmaceutical compositions containing them
    申请人:BEECHAM GROUP PLC
    公开号:EP0265185A3
    公开(公告)日:1990-03-28
    Antibacterial agents have the formula (Ia) or are pharmaceutically acceptable salts or invivo hydrolysable esters thereof: wherein R¹ is an acyl group, in particular that of an antibacterially active cephalosporin; R² is hydrogen, methoxy, or formamido; Y is S, SO, SO₂, O or CH₂; X is oxygen, sulphur, or -NH- and R⁴ is a group of the formula CO Z R⁵ wherein Z is -CH=CH-, -(CH₂)n- or -NH-; n is 0, 1 or 2; and R⁵ is: wherein R⁶ and R⁷ are the same or different, each representing hydroxy or protected hydroxy and R⁸ is hydroxy, amino, halogen or carboxy.The use of the compounds of formula (Ia) and intermediates for their preparation are also disclosed.
    抗菌剂的化学式为(Ia),或者是其药用可接受的盐或体内水解酯: 其中R¹是酰基,特别是抗菌活性头孢菌素的酰基;R²是氢、甲氧基或甲酰胺基;Y是S、SO、SO₂、O或CH₂;X是氧、硫或-NH-,R⁴是化学式CO Z R⁵的基团,其中Z是-CH=CH-、-(CH₂)n-或-NH-;n为0、1或2;R⁵是: 其中R⁶和R⁷相同或不同,分别代表羟基或保护羟基,R⁸是羟基、氨基、卤素或羧基。该化合物的使用和其制备的中间体也被披露。
  • D-AMINO ACID OXIDASE INHIBITORS AND THERAPEUTIC USES THEREOF
    申请人:Tsai Guochuan Emil
    公开号:US20190112289A1
    公开(公告)日:2019-04-18
    The present invention relates to compounds of Formula (I): or a pharmaceutically acceptable salt thereof, wherein: each of A, B, C, D, and E, independently, is C, N, N—H, O, S, or absent is a single bond or a double bond; each of X, Y, and Z, independently, is aryl, heteroaryl, aralkyl, H, or absent; each of L 1 and L 2 , independently, is a moiety selected from O, CH 2 , C═O, C 2-10 alkyl, C 2-10 alkenyl, C 2-10 alkynyl, —((CH 2 ) n —W)—, wherein n=0, 1, 2, 3, 4, or 5, and W is O or S, or absent; and when L 2 is absent, Z is aryl or heteroaryl fused with B C. Also provided in the present invention is a method for inhibiting, treating and/or reducing the risk of a neuropsychiatric disorder, comprising administering a subject in need a composition comprising a compound of Formula (I).
    本发明涉及以下式(I)的化合物: 或其药学上可接受的盐,其中:A、B、C、D 和 E 中的每一个独立地是 C、N、N—H、O、S 或不存在 是单键或双键;X、Y 和 Z 中的每一个独立地是芳基、杂环芳基、芳基烷基、H 或不存在;L 1 和 L 2 中的每一个独立地是从 O、CH 2 、C═O、C 2-10 烷基、C 2-10 烯基、C 2-10 炔基、—((CH 2 ) n —W)— 中选择的基团,其中 n=0、1、2、3、4 或 5,W 是 O 或 S,或不存在;当 L 2 不存在时,Z 是与 B 相融合的芳基或杂环芳基。本发明还提供了一种用于抑制、治疗和/或减少神经精神障碍风险的方法,包括向需要的受试者施用包含式(I)化合物的组合物。
  • NOVEL CEPHALOSPORIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF
    申请人:CHO Young Lag
    公开号:US20120264727A1
    公开(公告)日:2012-10-18
    The present invention relates to novel cephalosporin derivatives represented by Chemical Formula 1. Wherein, X, Y, L, R 1 , and R 2 are as same as defined in the description of the invention. The present invention also relates to pharmaceutical antibiotic compositions comprising a novel celphalosporin derivative represented by Chemical Formula 1, a prodrug thereof, a hydrate thereof, a solvate thereof, an isomer thereof, or a pharmaceutically acceptable salt thereof as an effective ingredient. According to the present invention, novel cephalosporin derivatives, a prodrug thereof, a hydrate thereof, a solvate thereof, an isomer thereof, or a pharmaceutically acceptable salt thereof as an effective ingredient for the broad spectrum of antibiotic resistant, low toxicity, particularly in Gram-negative bacteria, which can be useful with strong antimicrobial activity.
    本发明涉及由化学公式1表示的新型头孢菌素衍生物。其中,X、Y、L、R1和R2与发明描述中定义的相同。本发明还涉及包含由化学公式1表示的新型头孢菌素衍生物、前药、水合物、溶剂化物、异构体或药用可接受盐作为有效成分的药物抗生素组合物。根据本发明,新型头孢菌素衍生物、前药、水合物、溶剂化物、异构体或药用可接受盐作为广谱抗生素耐药、低毒性的有效成分,特别是在革兰氏阴性细菌中,可以具有强大的抗菌活性。
  • [EN] HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROBICYCLIQUES COMME INHIBITEURS DE LA BÊTA-LACTAMASE
    申请人:ASTRAZENECA AB
    公开号:WO2013150296A1
    公开(公告)日:2013-10-10
    The present invention is directed to compounds which are beta-lactamase inhibitors. The compounds and their pharmaceutically acceptable salts, are useful in combination with beta-lactam antibiotics, or alone, for the treatment of bacterial infections, including infections caused by drug resistant organisms, including multi-drug resistant organisms. The present invention includes compounds according to formula (Ia): or a pharmaceutically acceptable salt thereof, wherein the values of R1, R 2, R 3 and R 4 are described herein.
    本发明涉及一种β-内酰胺酶抑制剂化合物。这些化合物及其药学上可接受的盐,可与β-内酰胺类抗生素结合使用,或单独使用,用于治疗细菌感染,包括由耐药菌株引起的感染,包括多药耐药菌株引起的感染。本发明包括根据式(Ia)的化合物:或其药学上可接受的盐,其中R1、R2、R3和R4的值如本文所述。
  • CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER
    申请人:Koura Minoru
    公开号:US20100280013A1
    公开(公告)日:2010-11-04
    [Object] It is to provide a novel LXRβ agonist useful as a preventative and/or therapeutic agent for atherosclerosis; arteriosclerosis such as those resulting from diabetes; dyslipidemia; hypercholesterolemia; lipid-related diseases; inflammatory diseases that are caused by inflammatory cytokines; skin diseases such as allergic skin diseases; diabetes; or Alzheimer's disease. [Solving Means] A carbinol compound represented by the following general formula (I) or salt thereof, or their solvate: (wherein, each V and W independently show N or C—R 7 ; each X and Y independently show CH 2 , C═O, SO 2 , etc; Z shows CH or N; each R 1 , R 2 and R 7 independently show a hydrogen atom, C 1-8 alkyl group, etc.; R 3 shows C 1-8 alkyl group; R 4 shows an optionally substituted C 6-10 aryl group or an optionally substituted 5- to 11-membered heterocyclic group; R 5 and R 6 show a hydrogen atom, etc.; L shows a C 1-8 alkyl chain optionally substituted with an oxo group, etc.; and n shows any integer of 0 to 2.)
    它是提供一种新型的LXRβ激动剂,可用作预防和/或治疗动脉粥样硬化;动脉硬化,如由糖尿病引起的动脉硬化;血脂异常;高胆固醇血症;与脂质相关的疾病;由炎性细胞因子引起的炎症性疾病;过敏性皮肤病;糖尿病;或阿尔茨海默病的预防和/或治疗剂。【解决手段】由以下一般式(I)表示的羟甲基化合物或其盐,或它们的溶剂化合物: (其中,每个V和W独立地表示N或C—R 7 ;每个X和Y独立地表示CH 2 ,C═O,SO 2 等;Z表示CH或N;每个R 1 ,R 2 和R 7 独立地表示氢原子,C 1-8 烷基基团等;R 3 表示C 1-8 烷基基团;R 4 表示可选择地取代的C 6-10 芳基基团或可选择地取代的5-至11-成员杂环基团;R 5 和R 6 表示氢原子等;L表示可选择地取代有氧基团等的C 1-8 烷基链;n表示0至2的任意整数。】
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