CAS: 91189-59-2; Dimethyl 4-(2,3-Dichlorophenyl)-2,6-Dimethyl-1,4-Dihydropyridine-3,5-Dicarboxylate

• 英文名称Dimethyl 4-(2,3-Dichlorophenyl)-2,6-Dimethyl-1,4-Dihydropyridine-3,5-Dicarboxylate
• 中文名称4-(2,3-二氯苯基)-2,6-二甲基-1,4-二氢吡啶-3,5-二羧酸二甲酯
• IUPAC名称dimethyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• 其它别名Felodipine Impurity B; 4-(2,3-Dichlorophenyl)-1,4-Dihydro-2,6-Dimethyl-3,5-Pyridinedicarboxylic Acid Dimethyl Ester; Felodipine 3,5-Dimethyl Ester; 4-(2,3-Dichlorophenyl)-1,4-Dihydro-2,6-Dimethyl-3,5-Pyridinedicarboxylic Acid 3,5-Dimethyl Ester; Clevidipine Butyrate Impurity ⅲ; Cleviprex Impurity B; Felodipine Related Compound B; 3,5-Dimethyl Ester
• CAS编号91189-59-2
• MFCD编号:MFCD02673625
• EINECS号:641-890-6
• FDA UNII编号:6LQ9G5T4HP
• 分子式:C17H17Cl2NO4分子量:370.23
• 产品CID: 1946890
• 产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

• 相似结构搜索
• InChIKey: VEACAIASCBTOFS-UHFFFAOYSA-N
• InChI=1S/C17H17Cl2NO4/c1-8-12(16(21)23-3)14(10-6-5-7-11(18)15(10)19)13(9(2)20-8)17(22)24-4/h5-7,14,20H,1-4H3
• 计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数5.0

物理性质

• 熔点184-186°C
• 沸点459.7±45.0 °C at 760 mmHg
• 闪点231.8±28.7 °C
• 密度1.3±0.1 g/cm3
• PSA:64.63
• LogP:4.3
• 折射率1.554
• 蒸汽压0.0±1.1 mmHg at 25°C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 外观形态淡黄色至浅绿色固体
• 储存条件安瓿瓶, -20°C 冰箱, 在惰性气其中

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS07;
  注释: Health hazard & Exclamation mark
• 危险类别生殖毒性 类别2
  急性毒性 类别4(经口)
  特定目标器官毒性 - 单次接触 类别3
  特定目标器官毒性-重复接触 类别2
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  水生慢性毒性 类别3
• 警示词Warning(警告)
• 危险描述H361 |怀疑对生育能力或胎儿造成损害.
  H302 |吞咽有害.
  H335 |可能引起呼吸道刺激.
  H373 |长期或反复接触可能损害器官.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H412 |对水生生物有害并具有长期持续影响.
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 安全声明H303+H313+H333

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 Felodipine 3,5-Dimethyl Ester 主要起始原料 Methyl Acetoacetate And 2,3-Dichlorobenzaldehyde And Methyl 3-Aminocrotonate
• 123853-39-4 = 91189-59-2
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 15 H,Rt -> Reflux1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3
  标题:Synthesis Of Clevidipine Butyrate
  作者:Cao,Xiuzhi; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2010 卷标:41(3) 页码:170-172]
  
  = 91189-59-2 [标题:Reaction Conditions
  标题:Practical Synthesis Of 1,4-Dihydropyridines On Heterogeneous Sulfonic Modified Silica (Sba-15-So3H) Catalyst Under Mild Condition
  作者:Hung,Tran Quang; Et Al
  参考文献:Current Organic Synthesis 日期:2023 卷标:20(8) 页码:880-889]
  
  6334-18-5 + 105-45-3 = 91189-59-2
  反应条件:1.1 Reagents: Ammonium Acetate Solvents: N-Butylpyridinium Tetrafluoroborate; 3 H,100 - 110 °C
  标题:Facile And Green Synthesis Of 1,4-Dihydropyridine Derivatives In N-Butyl Pyridinium Tetrafluoroborate
  作者:Wu,Xiao Yun
  参考文献:Synthetic Communications 日期:2012 卷标:42(3) 页码:454-459]
  
  6334-18-5 + 105-45-3 = 91189-59-2
  反应条件:1.1 Reagents: Ammonium Acetate Catalysts: Polyethylene Glycol Mono(4-Tert-Octylphenyl) Ether Solvents: Water; 2.5 H,Rt
  标题:Triton-X-100 Catalyzed Synthesis Of 1,4-Dihydropyridines And Their Aromatization To Pyridines And A New One Pot Synthesis Of Pyridines Using Visible Light In Aqueous Media
  作者:Ghosh,Partha Pratim; Et Al
  参考文献:Rsc Advances 日期:2013 卷标:3(22) 页码:8220-8226]
  
  14205-39-1 + 6334-18-5 + 105-45-3 = 91189-59-2
  反应条件:1.1 Reagents: Tetrabutylammonium Hydrogen Sulfate Solvents: Ethylene Glycol; 3 - 4 H,80 °C
  标题:Chiral Phosphoric Acid Catalyzed Enantioselective Desymmetrization Of 1,4-Dihydropyridines By C(Sp3)-H Bromination
  作者:Han,Min; Et Al
  参考文献:Angewandte Chemie 日期:2022 卷标:61(22)

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902600000-乙苯
  2902700000-异丙基苯
• 💡 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