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苯氧基-2喹喔啉 | 52598-53-5

中文名称
苯氧基-2喹喔啉
中文别名
——
英文名称
Phenoxy-2 quinoxaline
英文别名
2-phenoxyquinoxaline;2-phenoxy-quinoxaline;2-Phenoxy-chinoxalin
苯氧基-2喹喔啉化学式
CAS
52598-53-5
化学式
C14H10N2O
mdl
——
分子量
222.246
InChiKey
BSDZLWKEACOABU-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

物化性质

  • 熔点:
    100-101 °C(Solv: ligroine (8032-32-4))
  • 沸点:
    369.4±22.0 °C(Predicted)
  • 密度:
    1.230±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    3.9
  • 重原子数:
    17
  • 可旋转键数:
    2
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    35
  • 氢给体数:
    0
  • 氢受体数:
    3

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
    —— Acide phenoxy-3 quinoxalinecarboxylique-2 82501-00-6 C15H10N2O3 266.256

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Alkaline hydrolysis of 2-phenoxyquinoxaline in reactive counter-ion micelles: Effects of head group size
    摘要:
    The reaction of 2-phenoxyquinoxaline (1) with hydroxide ion is accelerated by reactive counter-ion micelles of cetyltrialkylammonium hydroxides (alkyl = Me, Et, n-Pr, and n-Bu), cetylmethylpiperidinium hydroxide, and cetylquinuclidinium hydroxide containing bulky head groups. First-order rate constants for reaction of (1) with OH- increase with increasing bulk of the head group and are associated with an increase in nucleophile reactivity as water is squeezed away from the micelle surface. Micellar effects upon the alkaline hydrolysis of compound (1) were analyzed by using a model that describes micelle-ion interactions in terms of Langmuir isotherms. (C) 1998 John Wiley & Sons, Inc.
    DOI:
    10.1002/(sici)1097-4601(1998)30:11<777::aid-kin1>3.0.co;2-s
  • 作为产物:
    描述:
    Ethoxycarbonyl-2 phenoxy-3 quinoxaline 在 Acide polyphosphorique 作用下, 以 乙醇 、 xylene 为溶剂, 反应 7.0h, 生成 苯氧基-2喹喔啉
    参考文献:
    名称:
    Vinot, Nicole; Maitte, Pierre, Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 349 - 352
    摘要:
    DOI:
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文献信息

  • Decarbonylative Diaryl Ether Synthesis by Pd and Ni Catalysis
    作者:Ryosuke Takise、Ryota Isshiki、Kei Muto、Kenichiro Itami、Junichiro Yamaguchi
    DOI:10.1021/jacs.7b00049
    日期:2017.3.8
    Because diaryl ethers are present as an important motif in pharmaceuticals and natural products, extensive studies for the development of novel methods have been conducted. A conventional method for the construction of the diaryl ether moiety is the intermolecular cross-coupling reaction of aryl halides and phenols with a copper or palladium catalyst. We developed a catalytic decarbonylative etherification
    由于二芳基醚作为药物和天然产物中的一个重要基序存在,因此已经对开发新方法进行了广泛的研究。构建二芳基醚部分的常规方法是芳基卤化物和酚与铜或钯催化剂的分子间交叉偶联反应。我们使用钯或镍催化剂开发了芳族酯的催化脱羰醚化,以及我们的使能二膦配体,以产生相应的二芳基醚。本反应可以以极好的收率以克规模进行。该反应不仅在分子内设置中起作用,而且还允许使用其他酚进行交叉醚化。
  • Pd/PTABS: Low Temperature Etherification of Chloroheteroarenes
    作者:Shatrughn Bhilare、Siva Sankar Murthy Bandaru、Jagrut Shah、Nicolas Chrysochos、Carola Schulzke、Yogesh S. Sanghvi、Anant R. Kapdi
    DOI:10.1021/acs.joc.8b01840
    日期:2018.11.2
    efficient catalytic etherification protocol for chloroheteroarenes was developed using the Pd/PTABS catalytic system. The protocol is selective for the etherification of chloroheteroarenes using a large variety of electron-rich and electron-deficient phenol bearing synthons which include inter alia biologically and commercially important estrone, estradiol, tyrosine, and several other molecules. The mildness
    使用Pd / PTABS催化系统开发了温和,通用,高效的氯杂芳烃催化醚化方案。该协议对于使用多种富含电子和缺乏电子的含酚合成子进行氯杂芳烃的醚化是选择性的,所述合成子尤其包括生物学上和商业上重要的雌酮,雌二醇,酪氨酸和其他几种分子。预计新方案的温和性将有利于复杂药物和药物中间体的合成,并提供生物活性化合物的后期修饰。
  • NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE
    申请人:Shibayama Kotaro
    公开号:US20140073792A1
    公开(公告)日:2014-03-13
    An agricultural or horticultural fungicide contains as an active ingredient thereof at least one compound selected from the group consisting of nitrogenated heterocyclic compounds represented by formula (I) (wherein, R represents a group represented by CR 1 R 2 R 3 or a cyano group, R 1 to R 3 represent hydrogen atoms, alkyl groups or hydroxyl groups, or the like, X 1 represents a halogeno group or the like, m represents an integer of 0 to 5, X 2 represents a halogeno group or the like, n represents an integer of 0 to 3, B represents a carbon atom or a nitrogen atom, D represents a 5- to 7-membered hydrocarbon ring, and A 1 to A 4 represent carbon atoms or nitrogen atoms, provided that A 1 to A 4 do not all represent carbon atoms when B represents a carbon atom) and salts thereof.
    一种农业或园艺用的杀菌剂,其活性成分至少包含以下化合物之一,所述化合物选自由式(I)所代表的含氮杂环化合物组成的群体(其中,R代表由CR1R2R3或氰基表示的基团,R1至R3代表氢原子、烷基或羟基等,X1代表卤素基团等,m表示0至5的整数,X2代表卤素基团等,n表示0至3的整数,B代表碳原子或氮原子,D代表5至7成员的碳氢环,A1至A4代表碳原子或氮原子,但当B代表碳原子时,A1至A4不全为碳原子)及其盐。
  • Atkinson et al., Journal of the Chemical Society, 1956, p. 26,27
    作者:Atkinson et al.
    DOI:——
    日期:——
  • Micellar effects upon the reaction of hydroxide ion with 2-phenoxyquinoxaline
    作者:Angela Cuenca、Cesidio Bruno
    DOI:10.1002/kin.550261002
    日期:1994.10
    AbstractCationic micelles of alkyltrimethylammonium chloride and bromide (alkyl = nC12H25, nC14H29, and nC16H33) catalyze and anionic micelles of sodium dodecyl sulfate inhibit the reaction of hydroxide ion with 2‐phenoxyquinoxaline (1). Inert anions such as chloride, nitrate, mesylate, and n‐butanosulfonate inhibit the reaction in CTABr by competing with OH at the micellar surface. The overall micellar effects on rate in cationic micelles and dilute electrolyte can be treated quantitatively in terms of the pseudo‐phase ion‐exchange model. The determined second‐order rate constants in the micellar pseudo‐phase are smaller than the second‐order constants in water. © 1994 John Wiley & Sons, Inc.
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