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1,5,6-triazabicyclo[3.5.0]undec-5-ene | 915404-83-0

中文名称
——
中文别名
——
英文名称
1,5,6-triazabicyclo[3.5.0]undec-5-ene
英文别名
Htbu;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a][1,3]diazepine
1,5,6-triazabicyclo[3.5.0]undec-5-ene化学式
CAS
915404-83-0
化学式
C8H15N3
mdl
——
分子量
153.227
InChiKey
JHVLQAGCPSFDPC-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:
    242.8±23.0 °C(Predicted)
  • 密度:
    1.23±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    0.1
  • 重原子数:
    11
  • 可旋转键数:
    0
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.88
  • 拓扑面积:
    27.6
  • 氢给体数:
    1
  • 氢受体数:
    1

反应信息

  • 作为反应物:
    描述:
    1,5,6-triazabicyclo[3.5.0]undec-5-ene 在 BuLi 作用下, 以 四氢呋喃二氯甲烷 为溶剂, 生成 Mo2(tbu)4Cl
    参考文献:
    名称:
    Strong reducing agents containing dimolybdenum Mo24+ units and their oxidized cations with Mo25+/6+ cores stabilized by bicyclic guanidinate anions with a seven-membered ring
    摘要:
    报告了两种含有两个稠环的二环胍基配体hpp(hpp = 胍基化合物1,3,4,6,7,8-六氢-2H-嘧啶并[1,2a]嘧啶的阴离子)类似物的合成。每种化合物包含一个七元环,而另一个要么是五元环(Htbd),要么是六元环(Htbu)。在THF/Bu4NPF6中,二钼化合物Mo2(tbd)4和Mo2(tbu)4很容易被氧化,它们在差分脉冲伏安图中的信号分别为-1.059和-1.009 V(相对于Ag/AgCl),对于Mo25+/6+偶合,信号顺序为-0.242和-0.312 V,对于Mo26+/5+偶合,信号顺序为-0.242和-0.312 V。这两种化合物在溶于CH2Cl2后立即产生相应的Mo2(二环胍基)4Cl化合物,这些化合物很容易形成具有Mo26+核心的物种。在Mo2(tbd)4Cl中,有两个晶体学上独立的分子,Mo-Mo距离分别为2.1711(7)和2.
    DOI:
    10.1039/b608422b
  • 作为产物:
    描述:
    1,3-二氮杂烷-2-硫酮氢氧化钾三溴化磷 作用下, 以 乙醇氯仿 为溶剂, 反应 3.0h, 生成 1,5,6-triazabicyclo[3.5.0]undec-5-ene
    参考文献:
    名称:
    Strong reducing agents containing dimolybdenum Mo24+ units and their oxidized cations with Mo25+/6+ cores stabilized by bicyclic guanidinate anions with a seven-membered ring
    摘要:
    报告了两种含有两个稠环的二环胍基配体hpp(hpp = 胍基化合物1,3,4,6,7,8-六氢-2H-嘧啶并[1,2a]嘧啶的阴离子)类似物的合成。每种化合物包含一个七元环,而另一个要么是五元环(Htbd),要么是六元环(Htbu)。在THF/Bu4NPF6中,二钼化合物Mo2(tbd)4和Mo2(tbu)4很容易被氧化,它们在差分脉冲伏安图中的信号分别为-1.059和-1.009 V(相对于Ag/AgCl),对于Mo25+/6+偶合,信号顺序为-0.242和-0.312 V,对于Mo26+/5+偶合,信号顺序为-0.242和-0.312 V。这两种化合物在溶于CH2Cl2后立即产生相应的Mo2(二环胍基)4Cl化合物,这些化合物很容易形成具有Mo26+核心的物种。在Mo2(tbd)4Cl中,有两个晶体学上独立的分子,Mo-Mo距离分别为2.1711(7)和2.
    DOI:
    10.1039/b608422b
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文献信息

  • POLYCARBONATES BEARING PENDANT PRIMARY AMINES FOR MEDICAL APPLICATIONS
    申请人:Hedrick James L.
    公开号:US20140072607A1
    公开(公告)日:2014-03-13
    An antimicrobial composition comprises an anionic drug and an amine polymer comprising a first repeat unit of formula (2): wherein a′ is an integer equal to 1 or 2, b′ is an integer equal to 1 or 2, and each R′ is an independent monovalent radical selected from the group consisting of hydrogen, methyl, ethyl, and combinations thereof. G′ is a divalent linking group selected from the group consisting of a single bond and groups comprising at least one carbon. X − is a negatively charged counterion. The drug and the amine polymer are bound by noncovalent interactions.
    一种抗微生物组合物包括一种阴离子药物和一种胺聚合物,该胺聚合物包括具有以下式(2)的第一重复单元:其中a'是等于1或2的整数,b'是等于1或2的整数,每个R'是从氢、甲基、乙基和它们的组合中选择的独立单价基团。G'是从单键和包含至少一个碳的基团中选择的二价连接基团。X-是带负电的对离子。药物和胺聚合物通过非共价相互作用结合。
  • Process for producing fluorinated isocyanates and carbamates
    申请人:REPSOL YPF S.A.
    公开号:EP2036884A1
    公开(公告)日:2009-03-18
    The invention relates to a process for producing fluorinated carbamates comprising the reaction between an amine or polyamine and a fluorinated carbonate, in the presence of a catalyst which does not contain metals and comprises at least one tertiary amine group. The process can also comprise an additional step in which the carbamates are transformed into the corresponding isocyanates.
    该发明涉及一种生产氟化碳酸酯的方法,包括胺或多胺与氟化碳酸酯在不含金属的催化剂存在下反应,所述催化剂至少包含一个三级胺基团。该方法还可以包括一个额外步骤,将碳酸酯转化为相应的异氰酸酯。
  • Process for producing fluorinated carbamates and isocyanates
    申请人:Polo Ana Padilla
    公开号:US20090082588A1
    公开(公告)日:2009-03-26
    The invention relates to a process for producing fluorinated carbamates comprising the reaction between an amine or polyamine and a fluorinated carbonate, in the presence of a catalyst which does not contain metals and comprises at least one tertiary amine group. The process can also comprise an additional step in which the carbamates are transformed into the corresponding isocyanates.
    该发明涉及一种制备氟化碳酸酯的方法,包括胺或多胺与氟化碳酸酯在不含金属的催化剂存在下发生反应,所述催化剂包含至少一个三级胺基团。该方法还可以包括一个额外步骤,其中碳酸酯转化为相应的异氰酸酯。
  • [EN] METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS<br/>[FR] PROCÉDÉS POUR LA SYNTHÈSE DE COMPOSÉS DE GUANIDINE POLYCYCLIQUES
    申请人:NOVOMER INC
    公开号:WO2011079041A1
    公开(公告)日:2011-06-30
    The present invention provides methods for the synthesis of polycyclic guanidine compounds. In certain embodiments, provided methods include the step of contacting a described reagent with a triamine compound to provide a polycyclic guanidine compound.
    本发明提供了合成多环鸟苷化合物的方法。在某些实施例中,所提供的方法包括将所述试剂与三胺化合物接触,以提供多环鸟苷化合物的步骤。
  • PROCESS FOR THE PREPARATION OF POLYORGANOSILOAXNES
    申请人:Henkel AG & Co. KGaA
    公开号:EP3599256A1
    公开(公告)日:2020-01-29
    The invention relates to a process for preparing polyorganosiloxanes by (i) condensation polymerization of at least one linear organosiloxane which has at least one hydroxy group or hydrolysable group bound to a silicon atom, (ii) ring-opening polymerization of at least one cyclosiloxane, or (iii) ring-opening polymerization and condensation polymerization of a mixture of at least one linear organosiloxane which has at least one hydroxy group or hydrolysable group bound to a silicon atom and at least one cyclosiloxane with a basic initiator and a hydroxy group-containing compound in the presence of a polar aprotic solvent, wherein the obtained polyorganosilxoanes are not miscible in the polar aprotic solvent at room temperature.
    本发明涉及一种通过以下方法制备聚有机硅氧烷的工艺:(i) 至少一种与硅原子结合有至少一个羟基或可水解基团的线性有机硅氧烷的缩合聚合,(ii) 至少一种环硅氧烷的开环聚合、或(iii)在极性烷基溶剂存在下,将至少一种具有至少一个羟基或与硅原子结合的可水解基团的线性有机硅氧烷和至少一种环硅氧烷的混合物与碱性引发剂和含羟基化合物进行开环聚合和缩合聚合,其中所得到的聚有机硅氧烷在室温下不混溶于极性烷基溶剂中。
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同类化合物

阿斯普尼辛B 阿斯普尼辛 D 阿斯普尼辛 苯佐莫文 新骏河毒素 乙酰胺,N-(4-硝基-2-吡啶基)-,氧化(9CI) TAK960抑制剂 PLK1抑制剂(RO3280) 8H-嘧啶并[4,5-b][1,4]二氮杂卓 8-甲基-5,9-二氢-6H-嘧啶并[4,5-b][1,4]重氮基庚英-6-酮 6H-嘧啶并[4,5-b][1,4]二氮杂卓 4-甲基-6,11-二氢-3H-嘧啶并[4,5-b][1,5]苯并二氮杂卓-2,5-二酮 2-氯-7,7-二氟-5-甲基-5,7,8,9-四氢-6H-嘧啶基[4,5-B][1,4]二氮杂-6-酮 2-氯-5-甲基-5,7,8,9-四氢-6H-嘧啶[4,5-B][1,4]二氮杂6-酮 1H-嘧啶并[4,5-b][1,4]二氮杂卓 4-amino-8-(1,3-benzodioxol-5-yl)-6-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine 2-(2-Bromo-4-isopropyl-phenyl)-4-methyl-6-pentyl-6,7,8,9-tetrahydro-2H-2,3,5,6,9a-pentaaza-benzo[cd]azulen-1-one 2-chloro-8-(trifluoromethyl)-6H,11H-benzo[b]pyrimidino[5,4-f]-1,4-diazaperhydroepin-5-one 4,5,6,7-tetrahydro-2,4-diphenyl-4,7a,12b-triazadibenzo[e,g]azulene-1,3,8-trione 4,5,6,7-tetrahydro-4-methyl-2-phenyl-4,7a,12b-triazadibenzo[e,g]azulene-1,3,8-trione N-(4-((8,9-dimethoxy-5-methyl-6,11-dihydro-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-4-yl)oxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide N-(4-((8,9-dimethoxy-11H-benzo[e]pyrimido[5,4-b][1,4]diazepin-4-yl)oxy)-3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide N-(4-((8,9-dimethoxy-5-methyl-6,11-dihydro-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-4-yl)oxy)-3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide N-(4-((8,9-dimethoxy-6-oxo-6,11-dihydro-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-4-yl)oxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide N-(4-fluorophenyl)-N-(4-((8-methoxy-2-methyl-6,11-dihydro-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-4-yl)oxy)phenyl)cyclopropane-1,1-dicarboxamide N-(4-((8,9-dimethoxy-6-oxo-6,11-dihydro-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-4-yl)oxy)-3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide N-(4-fluorophenyl)-N-(4-((8-methoxy-6,11-dihydro-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-4-yl)oxy)phenyl)cyclopropane-1,1-dicarboxamide N-(4-((8,9-dimethoxy-6,11-dihydro-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-4-yl)oxy)-3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide N-(4-((8,9-dimethoxy-11H-benzo[e]pyrimido[5,4-b][1,4]diazepin-4-yl)oxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide N-(4-((8,9-dimethoxy-6,11-dihydro-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-4-yl)oxy)phenyl)-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide di-tert-butyl (1r,4r)-4-(4-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzamido)cyclohexyl phosphate 2-(2-Bromo-4-isopropyl-phenyl)-6-(1-ethyl-propyl)-4-methyl-6,7,8,9-tetrahydro-2H-2,3,5,6,9a-pentaaza-benzo[cd]azulen-1-one 7,8,9,10-tetrahydro-10-hydroxy-9-heptyl-[1,4]diazepino[1,2,3-g,h]purine 7,8,9,10-tetrahydro-10-hydroxy-9-methyl-9-propyl[1,4]diazepino[1,2,3-g,h]purine 6-cyclopentyl-9-[(3-methoxyphenyl)amino]-2-methyl-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-3-one 6-cyclopentyl-9-[(2-methoxyphenyl)amino]-2-methyl-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-3-one tert-butyl 8,10-dibromo-7-oxo-1,2,5,5a,6,7-hexahydro-[1,4]diazepino[1,7-a]quinazoline-3(4H)-carboxylate tert-butyl 8,10-dimethyl-7-oxo-1,2,5,5a,6,7-hexahydro-[1,4]diazepino[1,7-a]quinazoline-3(4H)-carboxylate 11-Diallylaminoacetyl-6-isopropyl-5,6-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one 6-butyl-11-diallylaminoacetyl-2-phenyl-5,6-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one 11-chloroacetyl-6-isopropyl-5,6-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one 4-[(2-cyclopentyl-4,4,6-trimethyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]benzoic acid 4-[(2-cyclopentyl-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl)amino]-3-methoxy-N-(4-piperidyl)benzamide 4-[(6-cyclopentyl-2-methyl-3-oxo-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl)amino]-N-(1-ethyl-4-piperidyl)-3-methoxy-benzamide 8-(4-chlorophenyl)-6-phenyl-9H-pyrimido[4,5-b][1,4]diazepin-4-ol 1-chloro-7-methoxy-8-(3-morpholin-4-yl-propoxy)-10,11-dihydro-5H-2,4,5,11-tetraaza-dibenzo[a,d]cycloheptene 4-[(6-cyclopentyl-2-methyl-3-oxo-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl)amino]-3-methoxy-N-methyl-benzamide (S)-tert-butyl (4-chloro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-7-yl)carbamate 3-methoxy-4-[[6-(2-methoxyethyl)-2-methyl-3-oxo-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl]amino]-N-(1-methyl-4-piperidyl)benzamide (9aS,9R)-4-chloro-N-(4-methylphenyl)-9a,10,11,12-tetrahydro-9H-pyrimido[4,5-b]dipyrrolo[1,2-d:2',1'-g][1,4]diazepin-9-amine