5-amino-2-methyl-2-hexanol | 61734-45-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-amino-2-methyl-2-hexanol
• 英文别名: 5-Amino-2-methylhexan-2-ol
• CAS: 61734-45-0
• 化学式: C₇H₁₇NO
• mdl: MFCD19204724
• 分子量: 131.218
• InChiKey: KWMPIZHCPKEDAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-nitrophenyl) N-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbamate 、 5-amino-2-methyl-2-hexanol 以 1,3-二甲基-2-咪唑啉酮 为溶剂， 反应 0.5h， 生成 1-(4-hydroxy-1,4-dimethylpentyl)-3-[7-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]urea
  参考文献：
  名称：

  [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF

  摘要：

  公开号：

  EP1630165B1
• 作为产物：
  描述：

  在 甲基(三氟甲基)-1,3-二环氧丙烷 、 sodium carbonate 作用下， 生成 5-amino-2-methyl-2-hexanol
  参考文献：
  名称：

  Asensio, Gregorio; González-Núñez, María Elena; Bernardini, Carmen Boix, Journal of the American Chemical Society, 1993, vol. 115, # 16, p. 7250 - 7253

  摘要：

  DOI：

文献信息

• Functionalized Organolithium Compounds by DTBB-Catalyzed Sulfur-Lithium Exchange
  作者：Francisco Foubelo、Ana Gutiérrez、Miguel Yus

  DOI：10.1055/s-1999-3426

  日期：1999.3

  The successive reaction of β- or γ-hydroxy or amino phenyl thioethers (1, 4) with butyllithium and an excess of lithium powder in the presence of a catalytic amount of DTBB in THF at - 78 °C leads to the formation of the corresponding β-γ-functionalized organolithium compounds 2 or 5, respectively, which by treatment with different electrophiles [D2O, t-BuCHO, PhCHO, Me2CO, (CH2)4CO, (CH2)5CO] at temperatures ranging between - 78 °C and room temperature yields, after hydrolysis with water, the expected functionalized alcohols or amines 3 or 6, respectively, in a completely regioselective manner.

  β-或γ-羟基或氨基苯硫醚（1, 4）与丁基锂和过量锂粉在催化量的DTBB存在下，在-78°C的THF中连续反应，分别生成相应的β-γ-功能化有机锂化合物2或5。这些化合物与不同的亲电试剂[D2O, t-BuCHO, PhCHO, Me2CO, (CH2)4CO, (CH2)5CO]在-78°C至室温范围内的温度下处理后，经水解，以完全区域选择性的方式分别得到预期的功能化醇或胺3或6。
• Functionallization of the δ-carbon atom by the ferrous ion induced decomposition of alkyl hydroperoxides in the presence of cupric salts
  作者：Z̈ivorad Čeković、Milutin Cvetković

  DOI：10.1016/s0040-4039(00)87708-4

  日期：1982.1

  In the ferrous ion induced decomposition of alkyl hydroperoxides in the presence of cupric halides or pseudohalides, intramolecular functionalization, with ligand transfer from cupric salts to δ-carbon atom, is achieved.

  在亚铜离子在卤化铜或假卤化物的存在下诱导的烷基氢过氧化物的分解中，实现了分子内功能化，配体从铜盐转移到δ-碳原子。
• [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof
  申请人：Masuda Akira

  公开号：US20070010515A1

  公开（公告）日：2007-01-11

  Novel [1,2,4]triazolo[1,5-a]pyrimidine derivative of the general formula (1): (1) its prodrug or a pharmaceutically acceptable salt thereof, which exhibits an antigen presentation inhibiting activity and is useful as a preventive and/or therapeutic agent for immunological rejection and/or graft versus host reaction in organ/bone marrow transplant, autoimmune disease, allergic disease and/or inflammatory disease and also useful as an anticancer drug or as an immunological tolerance inducer for transplanted organ/transplanted bone marrow.

  这是一种通式为(1)的[1,2,4]三唑并[1,5-a]嘧啶衍生物的小说，其中(1)是其前药或其药学上可接受的盐，具有抗原呈递抑制活性，可用作预防和/或治疗器官/骨髓移植、自身免疫性疾病、过敏性疾病和/或炎症性疾病的免疫排斥和/或移植物抗宿主反应的预防和/或治疗剂，同时也可用作抗癌药物或用于移植器官/移植骨髓的免疫耐受诱导剂。
• [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof
  申请人：Nippon Kayaku Kabushiki Kaisha

  公开号：US07598244B2

  公开（公告）日：2009-10-06

  Novel [1,2,4]triazolo[1,5-a]pyrimidine derivative of the general formula (1): (1) its prodrug or a pharmaceutically acceptable salt thereof, which exhibits an antigen presentation inhibiting activity and is useful as a preventive and/or therapeutic agent for immunological rejection and/or graft versus host reaction in organ/bone marrow transplant, autoimmune disease, allergic disease and/or inflammatory disease and also useful as an anticancer drug or as an immunological tolerance inducer for transplanted organ/transplanted bone marrow.

  该通用式为（1）的新型[1,2,4]三唑并[1,5-a]嘧啶衍生物（1）及其前药或其药学上可接受的盐，表现出抗原呈递抑制活性，可用作器官/骨髓移植的预防和/或治疗剂，用于免疫排斥和/或移植物抗宿主反应，自身免疫性疾病，过敏性疾病和/或炎症性疾病，也可用作抗癌药物或移植器官/移植骨髓的免疫耐受诱导剂。
• [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF
  申请人：NIPPON KAYAKU KABUSHIKI KAISHA

  公开号：EP1630165A1

  公开（公告）日：2006-03-01

  Novel [1,2,4]triazolo[1,5-a]pyrimidine derivative of the general formula (1): (1) its prodrug or a pharmaceutically acceptable salt thereof, which exhibits an antigen presentation inhibiting activity and is useful as a preventive and/or therapeutic agent for immunological rejection and/or graft versus host reaction in organ/bone marrow transplant, autoimmune disease, allergic disease and/or inflammatory disease and also useful as an anticancer drug or as an immunological tolerance inducer for transplanted organ/transplanted bone marrow.

  通式（1）的新型[1,2,4]三唑并[1,5-a]嘧啶衍生物：(1) 其原药或其药学上可接受的盐，具有抗原递呈抑制活性，可作为器官/骨髓移植、自身免疫性疾病、过敏性疾病和/或炎症性疾病中免疫排斥和/或移植物与宿主反应的预防和/或治疗药物，也可作为抗癌药物或移植器官/移植骨髓的免疫耐受诱导剂。