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N-(3-chloro-4-fluorophenyl)-β-D-galactopyranosylamine

中文名称
——
中文别名
——
英文名称
N-(3-chloro-4-fluorophenyl)-β-D-galactopyranosylamine
英文别名
(2R,3R,4S,5R,6R)-2-(3-chloro-4-fluoroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
N-(3-chloro-4-fluorophenyl)-β-D-galactopyranosylamine化学式
CAS
——
化学式
C12H15ClFNO5
mdl
——
分子量
307.706
InChiKey
HLFFWCRCJVOKAU-YBXAARCKSA-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):
    0.5
  • 重原子数:
    20
  • 可旋转键数:
    3
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    102
  • 氢给体数:
    5
  • 氢受体数:
    7

反应信息

  • 作为产物:
    描述:
    D-吡喃葡萄糖3-氯-4-氟苯胺盐酸 作用下, 反应 0.17h, 以83%的产率得到N-(3-chloro-4-fluorophenyl)-β-D-galactopyranosylamine
    参考文献:
    名称:
    氟化苯胺衍生的N-芳基糖胺的合成及作为海藻糖抑制剂的活性
    摘要:
    在少量盐酸存在下,通过氟化苯胺处理D-葡萄糖,D-半乳糖,D-甘露糖或D-木糖,通过一锅反应制备十二种N-芳基糖基胺。已经测试了对猪海藻糖酶的抑制活性和标题化合物对茄红枯菌的杀真菌活性。
    DOI:
    10.1016/s0008-6215(01)00126-4
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文献信息

  • Syntheses, structures and bioactivities of fluorine-containing phenylimino-thia(oxa)zolidine derivatives as agricultural bioregulators
    作者:Xuhong Qian、Xiaoyong Xu、Zhibin Li、Zhong Li、Gonghua Song
    DOI:10.1016/j.jfluchem.2004.09.002
    日期:2004.11
    From insight into the structure of trehazolin as trehalase inhibitor, six series of fluorine-containing phenylimino-thiazolidines (oxazolidines) derivatives were designed and prepared through a convenient synthesis of fluoroaryl isothiocyanate and a one-pot facile synthesis in high yield of fluorophenyl aminobenzoxazoles by cyclodesulfurization. The structures of the target compounds were confirmed with using IR, NMR, MS and elemental analysis. Their X-ray crystal analysis suggested that there were novel intermolecular (sp(2)CF(...)H(3)C-) and intramolecular (sp(2)CF(...)HN) hydrogen bonds between the fluorine atom on benzene ring and hydrogen atom of methyl group or amino group on five-membered heterocycle. Their fungicidal activities against Rhizoctonia solani and Pyricuraria oryzae at 100 ppm were determined. (C) 2004 Elsevier B.V. All rights reserved.
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