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2-benzyl-8-(1,2-dimethylheptyl)-10-hydroxy-5-oxo-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine | 26685-45-0

中文名称
——
中文别名
——
英文名称
2-benzyl-8-(1,2-dimethylheptyl)-10-hydroxy-5-oxo-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine
英文别名
2-benzyl-8-(1,2-dimethyl-heptyl)-10-hydroxy-1,2,3,4-tetrahydro-chromeno[4,3-c]pyridin-5-one;2-benzyl-10-hydroxy-8-(3-methyl-2-octyl)-5-oxo-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine;2-benzyl-10-hydroxy-8-(3-methyloctan-2-yl)-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one
2-benzyl-8-(1,2-dimethylheptyl)-10-hydroxy-5-oxo-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine化学式
CAS
26685-45-0
化学式
C28H35NO3
mdl
——
分子量
433.591
InChiKey
GIPWKJTXHZERJH-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

  • 沸点:
    594.9±50.0 °C(Predicted)
  • 密度:
    1.16±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    6.6
  • 重原子数:
    32
  • 可旋转键数:
    8
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.46
  • 拓扑面积:
    49.8
  • 氢给体数:
    1
  • 氢受体数:
    4

上下游信息

  • 下游产品
    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:
    2-benzyl-8-(1,2-dimethylheptyl)-10-hydroxy-5-oxo-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine 氢气 作用下, 以 乙醇溶剂黄146 为溶剂, 生成 8-(1,2-dimethylheptyl)-10-hydroxy-2-(2-propynyl)-5-oxo-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-d]pyridine
    参考文献:
    名称:
    Buchwald, Amy; Derendorf; Ji, Pharmazie, 2002, vol. 57, # 2, p. 108 - 114
    摘要:
    DOI:
  • 作为产物:
    参考文献:
    名称:
    Drugs derived from cannabinoids. 1. Nitrogen analogs, benzopyranopyridines and benzopyranopyrroles
    摘要:
    Various nitrogen analogs of delta6a,10a-tetrahydrocannabinol were synthesized by a general procedure described in an earlier communication. Minimum effective doses (MED50's) and lethal doses (LD50's) were determined by a modified Irwin mouse screen after iv administration of compounds in PEG 200. The most potent compounds were the propargyl (5t), allyl (5m), and chloroallyl (5o-q) derivatives. Overt behavioral effects (CNS depression, static ataxia, and hypersensitivity) of 5t and Roger Adams' carbocyclic analog (III) were found to be similar in the mouse, cat, dog, and monkey. Dichloroisoproterenol prevented and reversed many of the depressant effects of both III and 5t but had no effect on the ataxia produced by these compounds. In antinociceptive tests, 5t was active in the phenylquinone and Eddy hot-plate tests but was inactive in the tail-flick test.
    DOI:
    10.1021/jm00226a001
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文献信息

  • 2-Substituted-5-alkyl resorcinols
    申请人:Abbott Laboratories
    公开号:US04018777A1
    公开(公告)日:1977-04-19
    Covers 2-substituted-5-alkyl resorcinols represented by the formula ##STR1## wherein R.sub.1 is hydrogen or lower-alkanoyl; R.sub.2 is a straight or branched chain alkyl of 1 to 20 carbon atoms; and X is nitrogen or C-methyl. The compounds of this invention are useful as tranquilizers, analgesics, sedative-hypnotics and anticonvulsants.
    本发明涉及一种由公式##STR1##所代表的2-取代-5-烷基邻苯二酚衍生物,其中R.sub.1为氢或低级烷酰基;R.sub.2为1至20个碳原子的直链或支链烷基;X为氮或C-甲基。本发明的化合物可用作镇静剂、止痛药、镇静-催眠剂和抗癫痫药。
  • Buchwald; Browne; Wu, Pharmazie, 2000, vol. 55, # 3, p. 196 - 201
    作者:Buchwald、Browne、Wu、Ji、Bodor
    DOI:——
    日期:——
  • US3962448A
    申请人:——
    公开号:US3962448A
    公开(公告)日:1976-06-08
  • US4018777A
    申请人:——
    公开号:US4018777A
    公开(公告)日:1977-04-19
  • Drugs derived from cannabinoids. 1. Nitrogen analogs, benzopyranopyridines and benzopyranopyrroles
    作者:Harry G. Pars、Felix E. Granchelli、Raj K. Razdan、Jacqueline K. Keller、David G. Teiger、Franklin J. Rosenberg、Louis S. Harris
    DOI:10.1021/jm00226a001
    日期:1976.4
    Various nitrogen analogs of delta6a,10a-tetrahydrocannabinol were synthesized by a general procedure described in an earlier communication. Minimum effective doses (MED50's) and lethal doses (LD50's) were determined by a modified Irwin mouse screen after iv administration of compounds in PEG 200. The most potent compounds were the propargyl (5t), allyl (5m), and chloroallyl (5o-q) derivatives. Overt behavioral effects (CNS depression, static ataxia, and hypersensitivity) of 5t and Roger Adams' carbocyclic analog (III) were found to be similar in the mouse, cat, dog, and monkey. Dichloroisoproterenol prevented and reversed many of the depressant effects of both III and 5t but had no effect on the ataxia produced by these compounds. In antinociceptive tests, 5t was active in the phenylquinone and Eddy hot-plate tests but was inactive in the tail-flick test.
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