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3-morpholino-1,2,5-thiadiazole | 214691-24-4

中文名称
——
中文别名
——
英文名称
3-morpholino-1,2,5-thiadiazole
英文别名
4-(1,2,5-Thiadiazol-3-yl)morpholine
3-morpholino-1,2,5-thiadiazole化学式
CAS
214691-24-4
化学式
C6H9N3OS
mdl
——
分子量
171.223
InChiKey
KTFLPYIJWWZMQP-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):
    0.4
  • 重原子数:
    11
  • 可旋转键数:
    1
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.67
  • 拓扑面积:
    66.5
  • 氢给体数:
    0
  • 氢受体数:
    5

反应信息

  • 作为反应物:
    描述:
    阻聚剂7013-morpholino-1,2,5-thiadiazolepotassium tert-butylate 作用下, 以 叔丁醇 为溶剂, 生成 4-(4-(2,2,6,6-tetramethylpiperidin-1-oxyl-4-yloxy)-1,2,5-thiazol-3-yl)morpholine
    参考文献:
    名称:
    WO2008/103613
    摘要:
    公开号:
  • 作为产物:
    描述:
    3-(4-methylphenoxy)-4-morpholino-1,2,5-thiadiazole 在 四乙基氯化铵 作用下, 以 N,N-二甲基甲酰胺 为溶剂, 以26%的产率得到3-morpholino-1,2,5-thiadiazole
    参考文献:
    名称:
    摘要:
    The electron-acceptor nitrogen and sulfur atoms in 3,4-disubstituted 1,2,5-thiadiazoles are responsible for much decreased reduction potentials and much increased oxidation potentials of these compounds compared with the corresponding carbocyclic derivatives. The thiadiazole ring is resistant to oxidation, and the reversible electron transfer gives rise to fairly stable radical cations. Reductive stability of the heterocycle depends on the nature of its substituents and on the medium: When nucleofuge substituents are present, two-electron transfer in aprotic media results in heteroring opening with iminonitrile formation, whereas in the presence of two readily leaving groups, the electron transfer induces cleavage of the complete heteroring into inorganic anions.
    DOI:
    10.1023/a:1026155407915
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文献信息

  • Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them
    申请人:IMPERIAL CHEMICAL INDUSTRIES PLC
    公开号:EP0194751A1
    公开(公告)日:1986-09-17
    A wherein R' and R2 each is alkyl, alkenyl or alkoxyalkyl, wherein R3 and R4 each is alkyl, wherein benzene ring A is unsubstituted or bears one or more additional substituents selected from halogeno, cyano, nitro, trifluoromethyl and alkyl, or bears the substituent =N-α-N= attached to the 5-and 6-positions, wherein Ar is phenyl, naphthyl, tetrahydronaphthyl, indanyl or indenyl which is unsubstituted or which bears one or more substituents, or Ar is a 5- or 6-membered heterocyclic ring containing 1, 2 or 3 heteroatoms selected from oxygen, nitrogen and sulphur, which ring is saturated or unsaturated, which ring is unsubstituted or bears one or more substituents and which ring may also be fused to a benzene ring, wherein p is 0 or 1, wherein X is -0- or -5-, and wherein Y is straight-or branched-chain alkylene or alkenylene each of 2 to 12 carbon atoms which may optionally be interrupted by one or two groups selected from oxygen, sulphur, imino, substituted imino, phenylene, substituted phenylene, pyridylene, cycloalkylene, 1,4-piperazinediyl, 1,4-piperidinediyl and amido groups; or an acid-addition salt thereof, processes for their manufacture and pharmaceutical compositions containing them. The compounds possess either beta-adrenergic blocking or calcium ion slow channel blocking properties, or both such properties, and may be used in the treatment of hypertension.
    A 其中 R' 和 R2 各为烷基、烯基或烷氧基烷基,其中 R3 和 R4 各为烷基,其中苯环 A 未被取代或带有一个或多个选自卤素、氰基、硝基、三氟甲基和烷基的额外取代基、其中 Ar 是未被取代的苯基、萘基、四氢萘基、茚基或茚基,或带有一个或多个取代基,或 Ar 是含有 1、2 或 3 个选自氧、氮和硫的杂原子的 5 或 6 元杂环、其中 p 为 0 或 1,X 为-0-或-5-、其中 Y 为 2 至 12 个碳原子的直链或支链亚烷基或烯基,可任选被一个或两个选自氧、硫、亚氨基、取代亚氨基、亚苯基、取代亚苯基、吡啶基、环烷基、1,4-哌嗪二基、1,4-哌啶二基和氨基的基团打断;或其酸加成盐,以及它们的制造工艺和含有它们的药物组合物。这些化合物具有β-肾上腺素能阻断特性或钙离子慢通道阻断特性,或同时具有这两种特性,可用于治疗高血压。
  • WO2008/103613
    申请人:——
    公开号:——
    公开(公告)日:——
  • ——
    作者:E. I. Strunskaya、V. V. Yanilkin、Z. A. Bredikhina、N. V. Nastapova、V. I. Morozov、N. I. Maksimyuk、D. R. Sharafutdinova、A. A. Bredikhin
    DOI:10.1023/a:1026155407915
    日期:——
    The electron-acceptor nitrogen and sulfur atoms in 3,4-disubstituted 1,2,5-thiadiazoles are responsible for much decreased reduction potentials and much increased oxidation potentials of these compounds compared with the corresponding carbocyclic derivatives. The thiadiazole ring is resistant to oxidation, and the reversible electron transfer gives rise to fairly stable radical cations. Reductive stability of the heterocycle depends on the nature of its substituents and on the medium: When nucleofuge substituents are present, two-electron transfer in aprotic media results in heteroring opening with iminonitrile formation, whereas in the presence of two readily leaving groups, the electron transfer induces cleavage of the complete heteroring into inorganic anions.
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