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(1aS,3S,8R,9S,9aS)-1-乙酰基-7,9-二(乙酰氧基)-8-(((氨基羰基)氧基)甲基)-1,1a,2,8,9,9a-六氢-3,9-环氧-3H-氮丙啶并(2,3-c)苯并氮杂环辛四烯-5-甲醛 | 114580-45-9

中文名称
(1aS,3S,8R,9S,9aS)-1-乙酰基-7,9-二(乙酰氧基)-8-(((氨基羰基)氧基)甲基)-1,1a,2,8,9,9a-六氢-3,9-环氧-3H-氮丙啶并(2,3-c)苯并氮杂环辛四烯-5-甲醛
中文别名
——
英文名称
FK973
英文别名
3,9-Epoxy-3H-azirino(2,3-c)benzazocine-5-carboxaldehyde, 1-acetyl-7,9-bis(acetyloxy)-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,9,9a-hexahydro-, (1aS,3S,8R,9S,9aS)-;[(8R,9S,10S,12S)-11-acetyl-9-acetyloxy-8-(carbamoyloxymethyl)-4-formyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-6-yl] acetate
(1aS,3S,8R,9S,9aS)-1-乙酰基-7,9-二(乙酰氧基)-8-(((氨基羰基)氧基)甲基)-1,1a,2,8,9,9a-六氢-3,9-环氧-3H-氮丙啶并(2,3-c)苯并氮杂环辛四烯-5-甲醛化学式
CAS
114580-45-9
化学式
C20H21N3O9
mdl
——
分子量
447.401
InChiKey
FBXPCVIKIBWXAE-ZJZHAWLTSA-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:
    32
  • 可旋转键数:
    8
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.45
  • 拓扑面积:
    155
  • 氢给体数:
    1
  • 氢受体数:
    10

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

反应信息

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文献信息

  • Total synthesis of natural (+)-FR900482. 1. Synthetic and end-game strategies
    作者:Tadashi Katoh、Etsuko Itoh、Toshiharu Yoshino、Shiro Terashima
    DOI:10.1016/0040-4039(96)00593-x
    日期:1996.5
    A synthetic strategy for natural (+)-FR900482 (1) war developed by featuring a convergent and enantioselective sequence which commences with S-hydroxyisophthalic acid and L-diethyl tartrate. The proposed key intermediate 4 was synthesized starting from FK973, the triacetyl derivative of 1, and successful reconversion of 4 into 1 was also achieved. These preliminary studies definitely demonstrated that 4 is suitable as a potential relay compound toward 1 and that the crucial final sequence of reactions (4-->1) involving delicate deprotection and oxidation steps can be realized. Copyright (C) 1996 Elsevier Science Ltd
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同类化合物

氨甲酸(1aS,8R,9aS)-5-甲酰基-7,9-二羟基-3,9-环氧-2,3,8,9,9a,9b-六氢-1H-吖丙因并[2,3-c][1]苯并吖辛因-8-基甲基酯 1-乙酰基-7,9-二(乙酰氧基)-8-(((氨基羰基)氧基)甲基)-1,1a,2,8,9,9a-六氢-3,9-环氧-3H-氮丙啶并(2,3-c)(1)苯并氮杂环辛四烯-5-甲醛 (1aS,3S,8R,9S,9aS)-1-乙酰基-7,9-二(乙酰氧基)-8-(((氨基羰基)氧基)甲基)-1,1a,2,8,9,9a-六氢-3,9-环氧-3H-氮丙啶并(2,3-c)苯并氮杂环辛四烯-5-甲醛 Antibiotic FR 900482 6-(4-methyl-thiazol-2-yl)-dibenzo[d,f][1,3]diazepine-5,7-diol 11-acetyl-4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12 ]tetradeca-2,4,6-trien-8-ylmethyl carbamate 1-tert-butyl-2,1-benzisoxazoline 1-methyl-3-morpholin-4-yl-1,3-dihydro-benzo[c]isoxazole 7-Ethyl-3-methyl-1,3-dihydro-2,1-benzoxazole methyl (4aR,10aS,11aS,11bS)-4,4a,10,10a,11,11b-hexahydro-11-(tert-butyloxycarbonyl)-4a-formyl-5-hydroxy-2,2-dimethyl-9,11b-epoxyazirino[2,3-c]-1,3-dioxino[4,5-e][1]benzazocine-7-carboxylate methyl (1aS,8R,9S,9aS)-1,1a,2,8,9,9a-hexahydro-1-(tert-butyloxycarbonyl)-8-formyl-7,9-dihydroxy-8-(hydroxymethyl)-3,9-epoxy-3H-azirino[2,3-c][1]benzazocin-5-carboxylate (1aS,3R,8R,9R,9aS)-dimethyl ester 8-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-1,1a,2,8,9,9a-hexahydro-9-hydroxy-7-(methoxymethoxy)-3,9-epoxy-3H-azirino[2,3-c][1]benzazocine-1,5-dicarboxylic acid methyl (4R,6R)-2-(2-methoxypropan-2-yloxy)-7-oxo-10-phenylmethoxy-5-oxa-2-azatricyclo[7.4.0.04,6]trideca-1(9),10,12-triene-12-carboxylate FR66979 (+)-FR900482 [(1S,6R,15S,16R)-15-azido-10-(hydroxymethyl)-3-oxo-8-phenylmethoxy-2,4,17-trioxa-13-azatetracyclo[11.3.1.01,6.07,12]heptadeca-7(12),8,10-trien-16-yl] methanesulfonate 4-hydroxylamino-1,1,2,2,9,9,10,10-octafluoro[2.2]paracyclophane 4',7-dichlorospiro[1H-2,1-benzoxazole-3,3'-1H-pyrrole]-2'-one 11-O'-tert-butyl 4-O'-methyl (4S,9'R,10'S,12'S)-6',9'-dihydroxy-2-oxospiro[1,3-dioxolane-4,8'-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene]-4',11'-dicarboxylate 1-tert-Butyl-2,1-benzisoxazolin-3-ol (+)-FR900482 7-epi-(+)-FR900482 11-O-tert-butyl 4-O-methyl (8S,9R,10S,12S)-6,9-dihydroxy-8-(hydroxymethyl)-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-triene-4,11-dicarboxylate methyl (4R,6R,7S)-2-hydroxy-10-phenylmethoxy-7-tri(propan-2-yl)silyloxy-5-oxa-2-azatricyclo[7.4.0.04,6]trideca-1(9),10,12-triene-12-carboxylate (1,4-dihydroxy-3-iminoquinoxalin-2-ylidene)-nitrosomethanamine 2-(1H-2,1-benzoxazol-3-ylidene)-5-methylimidazole-4-carboxylic acid 4-Hydroxy-1-oxo-2,3-dihydro-1,2,4-benzotriazin-1-ium-3-amine N-[1H-2,1-benzoxazol-3-ylidene(nitroso)methyl]-3-chloro-4-fluoroaniline 4-hydroxy-6-methyl-3H-1,2,4-benzotriazin-3-amine 1,4-dihydroxy-3-imino-2H-quinoxaline-2,5,8-triamine N-(11-amino-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl)hydroxylamine;ethane 2-[[4-(3-chlorophenyl)-1H-2,1-benzoxazol-3-ylidene]methyl]-5-methyl-N-[2-(triazol-1-yl)ethyl]-1H-pyrrole-3-carboxamide 1-(1H-2,1-benzoxazol-3-ylidene)-N-[(2-methylphenyl)methyl]-1-nitrosomethanamine 6-Methyl-5,7-dihydroxy-6,7-dihydro-5H-dibenzo<1,3>diazepin 6-ethyl-dibenzo[d,f][1,3]diazepine-5,7-diol 2-(3H-Benzo[c]isoxazol-1-ylmethyl)-malononitrile 1,4-di-N-oxide-3-amino-2-imidazolequinoxaline. (1S,6R,15S,17S)-10-(dimethoxymethyl)-8-phenylmethoxy-2,4,18-trioxa-13,16-diazapentacyclo[11.4.1.01,6.07,12.015,17]octadeca-7(12),8,10-trien-3-one (+)-FR66979 4-formyl-6,9-dihydroxy-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12 ]tetradeca-2,4,6-trien-8-ylmethyl carbamate 6,9-dihydroxy-4-hydroxymethyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12 ]tetradeca-2,4,6-trien-8-ylmethyl carbamate methyl N-[(1-hydroxy-4-oxido-3,4-dihydroquinoxalin-4-ium-2-ylidene)methylimino]carbamate 1,4-Dihydroxy-2,3-dihydroquinoxaline methyl N-[(1,4-dihydroxy-2,3-dihydroquinoxalin-2-yl)methylideneamino]carbamate