1,5-diazacycloundecane | 294-49-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,5-diazacycloundecane
• CAS: 294-49-5
• 化学式: C₉H₂₀N₂
• 分子量: 156.271
• InChiKey: WCSSHOQPGJEWDZ-UHFFFAOYSA-N

物化性质

• 沸点：
  246.6±8.0 °C(Predicted)
• 密度：
  0.834±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,5-diazacycloundecane 在 lithium aluminium tetrahydride 、 magnesium sulfate 作用下， 以 乙二醇二甲醚 、 二氯甲烷 为溶剂， 反应 24.0h， 生成 1,8-二氮杂双环[6.4.3]十五烷
  参考文献：
  名称：

  Synthesis of medium-ring bicyclic bridgehead diamines from monocyclic diamines via α-aminoammonium ions

  摘要：

  DOI：

  10.1016/s0040-4039(00)88382-3
• 作为产物：
  描述：

  1,8-二氮杂双环[5.4.0]十一碳-7-烯 在 二异丁基氢化铝 作用下， 以 甲苯 为溶剂， 反应 7.0h， 以96%的产率得到1,5-diazacycloundecane
  参考文献：
  名称：

  Regioselective carbonyl amination using diisobutylaluminum hydride

  摘要：

  DOI：

  10.1021/ja00404a035

文献信息

• [EN] PYRIMIDINE COMPOUND AS WEE-1 INHIBITOR<br/>[FR] COMPOSÉ DE PYRIMIDINE UTILE EN TANT QU'INHIBITEUR DE WEE-1<br/>[ZH] 作为Wee-1抑制剂的嘧啶化合物
  申请人：WIGEN BIOMEDICINE TECH SHANGHAI CO LTD

  公开号：WO2022174796A1

  公开（公告）日：2022-08-25

  公开了作为Wee-1抑制剂的通式(1)所示的嘧啶化合物及其制备方法，以及通式(1)化合物及其各异构体、各晶型、药学上可接受的盐、水合物或溶剂合物作为Wee-1抑制剂在制备抗肿瘤药物中的用途。
• BENZOHYDROXIMOYLAZOLE DERIVATIVE, PRODUCTION THEREOF AND INSECTICIDE
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP0513397A1

  公开（公告）日：1992-11-19

  A benzohydroximoylazole derivative represented by general formula (I), a process for the production thereof, and an insecticide containing the same as the active ingredient, wherein R represents C₃ or higher branched alkyl, C₂ or higher fluoroalkyl, C₃ or higher branched alkoxy, C₃ or higher haloalkoxy, cycloalkyl, cycloalkylmethyl optionally substituted with one or two alkyl groups, substituted silylalkyl, substituted silylalkyloxy, cycloalkyloxy optionally substituted with one or two alkyl groups, alkylthio, halogenated alkyloxyalkyl, alkynyl or halogenated alkenyloxy; X represents hydrogen, chlorine or fluorine; Y represents alkyl; and Z represents nitrogen or methine. This derivative as an excellent insecticidal effect even in small doses and is particularly effective in controlling hemipteran pests. In can be applied as the insecticides for each of rice plant, vegetable and fruit tree.

  一种由通式(I)表示的苯并羟基咪唑衍生物、其生产工艺以及以其为活性成分的杀虫剂，其中 R 代表 C₃或更高支链烷基、C₂或更高氟烷基、C₃或更高支链烷氧基、C₃或更高卤代烷氧基、环烷基、任选被一个或两个烷基取代的环烷基甲基、取代的硅烷基、取代的硅烷氧基、C₃或更高的卤代烷氧基、环烷基、任选被一个或两个烷基取代的环烷基甲基、取代的硅烷基、取代的硅烷氧基、任选被一个或两个烷基取代的环烷氧基、烷硫基、卤代烷氧基烷基、炔基或卤代烯氧基；X 代表氢、氯或氟；Y 代表烷基；Z 代表氮或甲烷。这种衍生物即使在小剂量下也有很好的杀虫效果，对防治半翅目害虫特别有效。它可用作水稻、蔬菜和果树的杀虫剂。
• Compound containing basic group and use thereof
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP2657235A1

  公开（公告）日：2013-10-30

  The present invention relates to a compound represented by formula (I): wherein all symbols are as defined here, a salt thereof or a solvate thereof. The compound of the present invention has an antagonistic activity against CXCR4 and is therefore useful as a preventive and/or therapeutic agent for CXCR4-mediated diseases, for example, inflammatory and immune diseases (for example, rheumatoid arthritis, arthritis, retinopathy, pulmonary fibrosis, rejection of transplanted organ, etc.), allergic diseases, infections (for example, human immunodeficiency virus infection, acquired immunodeficiency syndrome, etc.), psychoneurotic diseases, cerebral diseases, cardiovascular disease, metabolic diseases, and cancerous diseases (for example, cancer, cancer metastasis, etc.), or an agent for regeneration therapy.

  本发明涉及一种由式 (I) 代表的化合物： 其中所有符号均如本文所定义，其盐或其溶液。 本发明的化合物对 CXCR4 具有拮抗活性，因此可用作 CXCR4 介导的疾病的预防和/或治疗剂，例如炎症性和免疫性疾病（如类风湿性关节炎、关节炎、视网膜病变、肺纤维化、移植器官的排斥反应等）、过敏性疾病、感染（如哮喘、荨麻疹、荨麻疹、荨麻疹性皮炎、荨麻疹性荨麻疹、荨麻疹性荨麻疹等）。）、过敏性疾病、感染（如人类免疫缺陷病毒感染、获得性免疫缺陷综合征等）、精神神经疾病、脑部疾病、心血管疾病、代谢性疾病和癌症疾病（如癌症、癌症转移等），或再生治疗剂。
• The out,out to out,in transition for 1,(n+2)-diazabicyclo[n.3.1]alkanes
  作者：Roger W. Alder、Edgar Heilbronner、Evi Honegger、Alan B. McEwen、Richard E. Moss、Edward Olefirowicz、Peter A. Petillo、Richard B. Sessions、Gary R. Weisman

  DOI：10.1021/ja00068a015

  日期：1993.7

  Hexahydropyrimidines N,N-bridged by a chain of n methylene groups (1,(n + 2)-diazabicyclo[n.3.1]alkanes) adopt out,out (axial,axial) structures for n = 2, 3, and 4. When n = 5, the photoelectron spectrum shows evidence of the presence of some of the out,in (axial,equatorial) isomer in the gas phase, although none can be found in solution. When n = 6, the compound is apparently entirely out,in in the gas phase but exists as a mixture of out,out and out,in conformers in solution. For n = 7, only the diamond lattice out,in isomer can be detected in solution. These experimental data are correlated with,force field (MM2) calculations; multiple minimum search methods have been used to locate all low-energy conformations. Semiempirical calculations (MNDO, AMI, and PM3) have been carried out on model systems. Related tricyclic bis-aminals having 10- and 12-membered rings have also been studied. They adopt [2323] and [3333] conformations, respectively, each having out,in (equatorial,axial) bridged hexahydropyrimidine rings. For several of the compounds, dynamic NMR processes are observed, and possible mechanisms for these are discussed.
• YAMAMOTO, HISASHI;MARUOKA, KEIJI, J. AMER. CHEM. SOC., 1981, 103, N 14, 4186-4194
  作者：YAMAMOTO, HISASHI、MARUOKA, KEIJI

  DOI：——

  日期：——