CAS: 870888-46-3; 4-((3-Endo)-3-Hydroxy-8-Azabicyclo[3.2.1]Octan-8-yl)-1-Naphthonitrile

• 英文名称4-((3-Endo)-3-Hydroxy-8-Azabicyclo[3.2.1]Octan-8-yl)-1-Naphthonitrile
• 中文名称4-(3-羟基-8-氮杂二环[3.2.1]辛-8-基)萘-1-甲腈
• IUPAC名称4-((1R,3r,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-naphthonitrile
• 其它别名4-(3-Endo-Hydroxy-8-Azabicyclo[3.2.1]Oct-8-yl)Naphthalene-1-Carbonitrile; 4-[(3-Endo)-3-Hydroxy-8-Azabicyclo[3.2.1]Oct-8-Yl]Naphthalene-1-Carbonitrile; 4-(3-Hydroxy-8-Azabicyclo[3.2.1]Oct-8-yl)Naphthalene-1-Carbonitrile
• CAS编号870888-46-3
• MFCD编号:MFCD31760525
• FDA UNII编号:U8VS41J5O6
• 分子式:C18H18N2O
• 分子量:278.36
• 产品CID: 1875826
• 产品分类有机原料 → 烃类化合物及其衍生物 → 芳香烃

• 相似结构搜索
• InChIKey: ATKWLNSCJYLXPF-FICVDOATSA-N
• InChI=1/C18H18N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-15,21H,6-7,9-10H2/t13-,14+,15+…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点158-162°C
• 沸点526.0±45.0 °C(预测)
• 密度1.28±0.1 g/cm3(预测)
• pKa:14.73±0.20(预测)
• PSA:47.26
• LogP:3.26858
• 溶解性DMSO: Soluble
• 外观形态白色至类白色固体
• 储存条件2-8°C
• 产品应用该化合物用于药品中间体.

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-
• 防范说明P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-
• WGK Germany3

上下游产品

合成工艺路线路线简述

• 合成目标产物 Ac-262536 主要起始原料 1-Cyano-4-Fluoronaphthalene And Nortropine
• 13916-99-9 + 538-09-0 = 870888-46-3
  反应条件:1.1 Reagents: Pyridine Solvents: Pyridine; 5 Min,220 °C
  标题:Synthesis,Structure-Activity Relationships,And Characterization Of Novel Nonsteroidal And Selective Androgen Receptor Modulators
  作者:Schlienger,Nathalie; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2009 卷标:52(22) 页码:7186-7191]
  
  538-09-0 + 86-53-3 = 870888-46-3 + 2332930-63-7
  反应条件:1.1 Reagents: Chlorosuccinimide Catalysts: Tris(2,2′-Bipyridyl)Ruthenium(Ii) Chloride Solvents: 1,1,1,3,3,3-Hexafluoro-2-Propanol; 30 Min,Rt1.2 Reagents: Perchloric Acid; 2 H,Rt
  标题:Practical And Regioselective Amination Of Arenes Using Alkyl Amines
  作者:Ruffoni,Alessandro; Et Al
  参考文献:Nature Chemistry 日期:2019 卷标:11(5) 页码:426-433

海关参考信息

• 2902300000-甲苯
  2902902000-精萘
  2905122000-异丙醇
  2905142000-仲丁醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管