CAS: 941-37-7; 1-Bromo-3,5-Dimethyladamantane

• 英文名称1-Bromo-3,5-Dimethyladamantane
• 中文名称1-溴-3,5-二甲基金刚烷
• IUPAC名称1-bromo-3,5-dimethyladamantane
• 其它别名1-溴-3,5-二甲基金刚烷(盐酸美金刚的中间体); 1溴35二甲基金刚烷
• CAS编号941-37-7
• MFCD编号:MFCD00077197
• EINECS号:213-378-9
• FDA UNII编号:SE68KQ68T1
• 分子式:C12H19Br
• 分子量:243.18
• 产品CID: 1988572
• 产品分类有机原料→分子砌块→桥环类化合物→金刚烷类化合物

• 相似结构搜索
• InChIKey: QUCXLVDIVQWYJR-UHFFFAOYNA-N
• InChI=1S/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3…
• 计算化学: 氢键受体数0.0氢键供体数0.0可旋转键数0.0

相似化合物

物理性质

• 沸点248.3°C at 760 mmHg
• 闪点108.9°C
• 密度1.4±0.1 g/cm3
• PSA:0.0
• LogP:4.1303
• 折射率1.578
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Chloroform (Sparingly), Dichloromethane (Slightly), Methanol (Slightly)
• 敏感性常温常压下稳定，避免氧化物接触
• 外观形态无色至浅琥珀色油状物
• 储存条件2-8°C
• 产品应用该化合物用于1,3-二碳基亚丁烷的合成锅1,300-二氯丁烷,3,5-二甲基甲烷-1-醇的合成罐中也使用.
• 性质描述沸点201°C,密度1.224g/mLat25°C,折光系数n20/D1.52,闪点228°F

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志C
• 安全声明26-27-36/37/39-45
• 危险类别码34-36
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 1-Bromo-3,5-Dimethyladamantane 主要起始原料 1,3-Dimethyladamantane
• 702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Aluminum Chloride,Bromine; 0.5 H,20 - 25 °C; 2 H,20 - 25 °C
  标题:Process For The Preparation Of Memantine Hydrochloride From 1,3-Dimethyladamantane
  参考文献:China]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Aluminum Chloride,Bromine Solvents: 1,2-Dichloroethane; 15 °C
  标题:Method For Synthesis Of 1,3-Diaminophenyl-5,7-Dimethyladamantane
  参考文献:China]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Bromine; Rt; 12 H,Reflux
  标题:Synthesis And Ir/ms Study Of 3,5-Dimethyladamantanamine Hydrochloride Salt
  作者:Ren,Huixue; Ying,Hanjie; Ouyang,Pingkai; Lin,Jimao; Jing,Liu
  参考文献:Asian Journal Of Chemistry 日期:2012 卷标:24(11) 页码:5107-5110]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Bromine Solvents: Dichloromethane; 0 °C; 4.5 H,< 20 °C; 20 °C -> Reflux; 19 H,Reflux
  标题:Catalyst And Application Thereof In The Synthesis Of 1-Bromo-3,5-Dimethyladamantane From Perhydroacenaphthene
  参考文献:China]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Bromine; 6 H,Reflux
  标题:A Concise Two-Step Method For Preparation Of Memantine Hydrochloride From 1,3-Dimethyladamantane
  作者:Nguyen,Thi Hong Tham; Nguyen,Trong Diep; Phan,Dinh Chau; Vu,Binh Duong
  参考文献:International Journal Of Pharmaceutical Sciences And Research 日期:2021 卷标:12(12) 页码:6370-6383]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Bromine; 4 H,Reflux; Reflux -> Rt; Overnight,Rt1.2 Reagents: Sodium Sulfite Solvents: Carbon Tetrachloride,Water; Cooled
  标题:Probe To Bifunctional Memantine Derivatives For Treatment Of Alzheimer'S Disease
  作者:Liu,Zheng; Chen,Haiyun; Luo,Fangcheng; Guo,Baojian; Jing,Xiaoyong; Et Al
  参考文献:Journal Of Pharmaceutical And Biomedical Sciences 日期:2015 卷标:5(4) 页码:276-290]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Bromine
  标题:The Octant Rule. Xx. Synthesis And Circular Dichroism Of (1S,5S)-Dimethyladamantan-2-One,Predicted To Have Zero Cotton Effect
  作者:Lightner,David A.; Van Toan Vien
  参考文献:Tetrahedron 日期:1987 卷标:43(21) 页码:4905-16]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Dichloromethane; 24 H,Rt
  标题:Rimantadine Analog For Treating Influenza A Virus And Synthesis Method Thereof
  参考文献:China]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Dichloromethane; 24 H,Rt
  标题:Memantine Analogue For Treating Alzheimer'S Disease And Its Synthesis Method
  参考文献:China]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Bromine; 10 H,40 °C; 24 H,40 °C
  标题:Synthesis Of Memantine Hydrochloride Intermediate
  作者:Wang,Fei-Long; Duan,Yi-Jie; Fan,Xing-Shan
  参考文献:Shandong Huagong 日期:2013 卷标:42(8) 页码:3-4]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Bromine; 70 °C; 8 H,70 °C; 70 °C -> 35 °C
  标题:Synthesis Method Of 1-Bromo-3,5-Dimethyladamantane From 1,3-Dimethyladamantane
  参考文献:China]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Bromine; 75 °C; 26 H,75 °C; 75 °C -> Rt1.2 Reagents: Sodium Bisulfite Solvents: Dichloromethane,Water; Cooled
  标题:Process For Preparation Of Memantine Hydrochloride
  参考文献:China]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Bromine; Rt; 10 H,Reflux
  标题:Process For The Preparation Of Memantine Hydrochloride
  参考文献:China]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Carbon Tetrabromide Catalysts: Iron(Iii) Acetylacetonate Solvents: Dibromomethane; 3 H,150 °C
  标题:Bromination Of Adamantane And Its Derivatives With Tetrabromomethane Catalyzed By Iron Compounds
  作者:Khusnutdinov,R. I.; Shchadneva,N. A.; Khisamova,L. F.
  参考文献:Russian Journal Of Organic Chemistry 日期:2015 卷标:51(2) 页码:184-187]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Bromine; 6 H,70 °C1.2 Reagents: Sodium Bisulfite Solvents: Water; 45 °C
  标题:Synthesis Of Memantine Hydrochloride
  作者:Zou,Yong; Xiong,Xiaoyun; Mei,Qibing
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2003 卷标:34(5) 页码:213-214]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Bromine
  标题:Use Of Adamantane Derivatives In The Prevention And Treatment Of Cerebral Ischemia
  参考文献:European Patent Organization]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Bromine Solvents: Acetic Acid,Water; 56 °C; 3 H,Reflux; Reflux -> Rt1.2 Reagents: Sodium Bisulfite Solvents: Dichloromethane,Water
  标题:Method For Synthesizing Diadamantanediol And Its Derivative
  参考文献:China]
  
  702-79-4 = 941-37-7 [标题:Reaction Conditions
  标题:Preparation And Adamantan-1-Ol And Its Homologs
  作者:Burkhard,Jiri; Janku,Josef; Vodicka,Ludek
  参考文献:Sbornik Vysoke Skoly Chemicko-Technologicke V Praze 日期:1978 页码:57-75]
  
  702-79-4 = 941-37-7
  反应条件:1.1 Reagents: Tert-Butyl Bromide Catalysts: Aluminum Chloride; 1 H,18 °C
  标题:Process For Preparation Of 1-Bromo-3,5-Dimethyladamantane By Reaction Of 1,3-Dimethyladamantane With Tert-Butyl Bromide In The Presence Of Aluminum Chloride And Its Use As Intermediate For Memantine And Its Hydrochloride
  参考文献:India

海关参考信息

• 2903399020-溴甲烷
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