CAS: 86604-75-3; 2-(Chloromethyl)-4-Methoxy-3,5-Dimethylpyridine Hydrochloride

• 英文名称2-(Chloromethyl)-4-Methoxy-3,5-Dimethylpyridine Hydrochloride
• 中文名称2-氯甲基-4-甲氧基-3,5-二甲基吡啶盐酸盐
• IUPAC名称2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine hydrochloride
• 其它别名2-(氯甲基)-4-甲氧基-3,5-二甲基-吡啶盐酸盐; 2氯甲基35二甲基4甲氧基吡啶盐酸盐; Cc-993; Omeprazole Chloride Compound
• CAS编号86604-75-3
• MFCD编号:MFCD00277472
• EINECS号:617-892-8
• FDA UNII编号:JNE3843NE3
• 分子式:C9H13Cl2NO
• 分子量:222.11
• 产品CID: 1868790
• 产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

• 相似结构搜索
• InChIKey: LCJDHJOUOJSJGS-UHFFFAOYSA-N
• InChI=1S/C9H12ClNO.ClH/c1-6-5-11-8(4-10)7(2)9(6)12-3;/h5H,4H2,1-3H3;1H…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数2.0

相似化合物

物理性质

• 熔点128-131°C
• 沸点272.2°C at 760 mmHg
• 闪点118.4 °C
• 密度1.34
• PSA:22.12
• LogP:2.86764
• 溶解性Chloroform (Slightly), Methanol (Sparingly)
• 敏感性按规定使用和贮存的不会分解，避氧化剂
• 外观形态白色至类白色固体
• 储存条件惰性气氛,室温

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  皮肤致敏 类别1
  水生慢性毒性 类别4
  急性毒性 类别4(经口)
  皮肤腐蚀 类别1B
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H317 |可能引起皮肤过敏反应.
  H413 |可能对水生生物造成长期有害影响.
  H302 |吞咽有害.
  H314 |造成严重皮肤灼伤和眼损伤.
  H316 |可能引起轻微皮肤刺激
• 防范说明P261-P264-P273-P280-P302+P352-P305+P351+P338
• 危险等级8
• UN编号3261
• 危险品标志Xi
• 包装等级II
• 安全声明26-36/37/39-45
• 危险类别码34
• 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 2-Chloromethyl-4-Methoxy-3,5-Dimethylpyridine Hydrochloride 主要起始原料 3,5-Dimethyl-4-Methoxy-2-Pyridinemethanol
• 84006-10-0 = 86604-75-3
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Ethanol,Water; 1 H,Rt
  标题:Syntheses And Crystal Structures Of 2-Chloromethyl-3,5-Dimethyl-4-Methoxy/ethoxy-Pyridines And Their Methylsulphinyl Derivatives
  作者:Ma,Sen; Et Al
  参考文献:Journal Of Chemical Crystallography 日期:2018 卷标:48(1-2) 页码:64-71]
  
  86604-79-7 = 86604-75-3
  反应条件:1.1 Solvents: Methanol; Rt; 1 H,Reflux1.2 Reagents: Acetic Acid Solvents: Dichloromethane,Water; Ph 51.3 Reagents: Acetic Anhydride; 2 H,Reflux1.4 Reagents: Sodium Hydroxide Solvents: Water; Ph 71.5 Reagents: Thionyl Chloride; 3 H,Reflux
  标题:Synthesis And Characterization Of Two Impurities In Esomeprazole,An Antiulcerative Drug
  作者:Liu,Xiao-Ping; Et Al
  参考文献:Latin American Journal Of Pharmacy 日期:2015 卷标:34(6) 页码:1265-1268]
  
  96300-88-8 = 86604-75-3
  反应条件:1.1 Reagents: Thionyl Chloride
  标题:Diversified Synthesis Of Novel Quinoline And Dibenzothiazepine Derivatives Using Known Active Intermediates
  作者:Sharada,L. N.; Et Al
  参考文献:Asian Journal Of Chemistry 日期:2013 卷标:25(14) 页码:7959-7966]
  
  96300-88-8 = 86604-75-3
  反应条件:1.1 Reagents: Thionyl Chloride
  标题:Simple,Convergent Synthesis Of The Piperazine-Linked Pyridine Derivatives: Microwave,Sonication And Conventional Methods
  作者:Sharada,L. N.; Et Al
  参考文献:Journal Of Pharmacy Research (Gurgaon 日期:2013 卷标:7(1) 页码:107-112]
  
  130000-78-1 = 86604-75-3
  反应条件:1.1 Reagents: Sodium Nitrite Catalysts: Acetic Acid2.1 Reagents: Thionyl Chloride
  标题:Preparation Of 3,5-Dimethyl-4-Methoxypyridine-2-Methanol And -Methyl Chloride
  参考文献:Germany]
  
  86604-80-0 = 86604-75-3
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: Dichloromethane; 1.5 H,Rt
  标题:Synthesis Of 2-Chloromethyl-4-Methoxy-3,5-Dimethylpyridine Hydrochloride
  作者:Dai,Guiyuan; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2004 卷标:35(5) 页码:261-262]
  
  3718-65-8 = 86604-75-3
  反应条件:1.1 Reagents: Nitric Acid2.1 Catalysts: Potassium Cyanide3.1 -4.1 -5.1 Reagents: Sodium Nitrite Catalysts: Acetic Acid6.1 Reagents: Thionyl Chloride
  标题:Preparation Of 3,5-Dimethyl-4-Methoxypyridine-2-Methanol And -Methyl Chloride
  参考文献:Germany]
  
  86604-79-7 = 86604-75-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol; 3.5 H,Reflux; Reflux -> Rt1.2 Reagents: Sulfuric Acid Solvents: Water; Ph 82.1 Reagents: Thionyl Chloride Solvents: Dichloromethane; 1.5 H,Rt
  标题:Synthesis Of 2-Chloromethyl-4-Methoxy-3,5-Dimethylpyridine Hydrochloride
  作者:Dai,Guiyuan; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2004 卷标:35(5) 页码:261-262]
  
  74409-42-0 = 86604-75-3
  反应条件:1.1 Reagents: Sulfuric Acid; Rt -> 90 °C1.2 Reagents: Sulfuric Acid,Nitric Acid; 90 °C; 5 H,90 °C; 90 °C -> Rt1.3 Reagents: Sodium Hydroxide Solvents: Water; Ph 8,Cooled2.1 Solvents: Methanol; Rt; 1 H,Reflux2.2 Reagents: Acetic Acid Solvents: Dichloromethane,Water; Ph 52.3 Reagents: Acetic Anhydride; 2 H,Reflux2.4 Reagents: Sodium Hydroxide Solvents: Water; Ph 72.5 Reagents: Thionyl Chloride; 3 H,Reflux
  标题:Synthesis And Characterization Of Two Impurities In Esomeprazole,An Antiulcerative Drug
  作者:Liu,Xiao-Ping; Et Al
  参考文献:Latin American Journal Of Pharmacy 日期:2015 卷标:34(6) 页码:1265-1268]
  
  74409-42-0 = 86604-75-3
  反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid; 5 H,80 °C; 80 °C -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; 3 H,Ph 8,Rt2.1 Reagents: Sodium Hydroxide Solvents: Methanol; 3.5 H,Reflux; Reflux -> Rt2.2 Reagents: Sulfuric Acid Solvents: Water; Ph 83.1 Reagents: Thionyl Chloride Solvents: Dichloromethane; 1.5 H,Rt
  标题:Synthesis Of 2-Chloromethyl-4-Methoxy-3,5-Dimethylpyridine Hydrochloride
  作者:Dai,Guiyuan; Et Al
  参考文献:Zhongguo Yiyao Gongye Zazhi 日期:2004 卷标:35(5) 页码:261-262

海关参考信息

• 2905110000-甲醇
  2933310010-吡啶
  2903110000-一氯甲烷及氯乙烷
  2909199090-其他醚及其衍生物
• 💡 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

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