CAS: 823-58-5; 4-Amino-3,6-Dichloropyridazine

• 英文名称4-Amino-3,6-Dichloropyridazine
• 中文名称3,6-二氯哒嗪-4-胺
• IUPAC名称3,6-dichloropyridazin-4-amine
• 其它别名3,6-二氯-4-氨基哒嗪; Nsc 170664; 4-Pyridazinamine, 3,6-Dichloro-
• CAS编号823-58-5
• MFCD编号:MFCD01647253
• EINECS号:831-152-3
• 分子式:C4H3Cl2N3
• 分子量:163.99
• 产品CID: 1814430
• 产品分类有机原料→分子砌块→芳杂环类化合物→哒嗪类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: HODYDVHWWMTUEL-UHFFFAOYSA-N
• InChI=1S/C4H3Cl2N3/c5-3-1-2(7)4(6)9-8-3/h1H,(H2,7,8)…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数0.0

相似化合物

物理性质

• 熔点203 °C
• 沸点363.0±37.0 °C at 760 mmHg
• 闪点173.3 °C
• 密度1.606g/cm3
• pKa:2.08±0.10(预测)
• PSA:51.8
• LogP:1.3656
• 折射率1.633
• 蒸汽压1.86E-05 mmHg at 25 °C
• 外观形态黄棕色固体
• 储存条件在惰性气体(氮气或氩气)下 2–8 °C

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
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  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.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  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
• 危险品标志Xi

欧盟法规

上下游产品

合成工艺路线路线简述

• 887310-61-4 = 823-58-5
  反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 16 H,Rt
  标题:Design,Synthesis,Crystallographic Studies,And Preliminary Biological Appraisal Of New Substituted Triazolo[4,3-B]Pyridazin-8-Amine Derivatives As Tankyrase Inhibitors
  作者:Liscio,Paride; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(6) 页码:2807-2812]
  
  6082-66-2 = 823-58-5
  反应条件:1.1 Reagents: Ammonia Solvents: 1,4-Dioxane,Water; 12 H,90 °C
  标题:Access To 4-Alkylaminopyridazine Derivatives Via Nitrogen-Assisted Regioselective Pd-Catalyzed Reactions
  作者:Blaise,Emilie; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(21) 页码:10311-10322]
  
  1104202-03-0 = 823-58-5
  反应条件:1.1 Reagents: Dilithium Dichlorocyanocuprate Solvents: Tetrahydrofuran; 30 Min,-78 °C1.2 Reagents: 3,3-Bis(1,1-Dimethylethyl)Oxaziridine Solvents: Tetrahydrofuran; 10 Min,-78 °C1.3 Reagents: Sodium Thiosulfate,Ammonium Chloride Solvents: Water; -78 °C; -78 °C -> Rt
  标题:Non-Deprotonative Primary And Secondary Amination Of (Hetero)Arylmetals
  作者:Zhou,Zhe; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2017 卷标:139(1) 页码:115-118]
  
  15456-86-7 = 823-58-5
  反应条件:1.1 Reagents: Phosphorus Oxychloride; Reflux2.1 Reagents: Ammonia Solvents: 1,4-Dioxane; Reflux
  标题:Chemical Proteomic Profiling Of Bromodomains Enables The Wide-Spectrum Evaluation Of Bromodomain Inhibitors In Living Cells
  作者:Li,Xin; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2019 卷标:141(29) 页码:11497-11505]
  
  51149-08-7 = 823-58-5
  反应条件:1.1 Reagents: Triethylamine,Diphenylphosphoryl Azide Solvents: Acetonitrile,Toluene; 2.3 H,120 °C2.1 Reagents: Hydrochloric Acid Solvents: Dichloromethane,1,4-Dioxane; 1 D,25 °C2.2 Reagents: Ammonia Solvents: Water; 30 Min,25 °C
  标题:Machine-Assisted Synthesis Of Modulators Of The Histone Reader Brd9 Using Flow Methods Of Chemistry And Frontal Affinity Chromatography
  作者:Guetzoyan,Lucie; Et Al
  参考文献:Medchemcomm 日期:2014 卷标:5(4) 页码:540-546]
  
  5926-51-2 = 823-58-5
  反应条件:1.1 Reagents: Hydrazine; 120 °C2.1 Reagents: Phosphorus Oxychloride; Reflux3.1 Reagents: Ammonia Solvents: 1,4-Dioxane; Reflux
  标题:Chemical Proteomic Profiling Of Bromodomains Enables The Wide-Spectrum Evaluation Of Bromodomain Inhibitors In Living Cells
  作者:Li,Xin; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2019 卷标:141(29) 页码:11497-11505]
  
  5926-51-2 = 823-58-5
  反应条件:1.1 Reagents: Hydrazine,Sulfuric Acid Solvents: Water; 12 H,100 °C2.1 Reagents: Phosphorus Oxychloride; 5 H,110 °C3.1 Reagents: Ammonia Solvents: 1,4-Dioxane,Water; 12 H,90 °C
  标题:Access To 4-Alkylaminopyridazine Derivatives Via Nitrogen-Assisted Regioselective Pd-Catalyzed Reactions
  作者:Blaise,Emilie; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(21) 页码:10311-10322]
  
  616-02-4 = 823-58-5
  反应条件:1.1 Reagents: Hydrazine Sulfate Solvents: Water; 6 H,Reflux2.1 Reagents: Phosphorus Oxychloride; 2 H,Reflux3.1 Reagents: Potassium Hydroxide,Permanganic Acid (Hmno4),Potassium Salt (1:1) Solvents: Acetonitrile,Water; 30 Min,Rt; 6 H,Rt3.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 14.1 Reagents: Triethylamine,Diphenylphosphoryl Azide Solvents: 1,4-Dioxane; 5 H,110 °C5.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 16 H,Rt
  标题:Design,Synthesis,Crystallographic Studies,And Preliminary Biological Appraisal Of New Substituted Triazolo[4,3-B]Pyridazin-8-Amine Derivatives As Tankyrase Inhibitors
  作者:Liscio,Paride; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(6) 页码:2807-2812]
  
  887310-61-4 = 823-58-5
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Dichloromethane,1,4-Dioxane; 1 D,25 °C1.2 Reagents: Ammonia Solvents: Water; 30 Min,25 °C
  标题:Machine-Assisted Synthesis Of Modulators Of The Histone Reader Brd9 Using Flow Methods Of Chemistry And Frontal Affinity Chromatography
  作者:Guetzoyan,Lucie; Et Al
  参考文献:Medchemcomm 日期:2014 卷标:5(4) 页码:540-546]
  
  6082-66-2 = 823-58-5
  反应条件:1.1 Reagents: Ammonia Solvents: 1,4-Dioxane; Reflux
  标题:Chemical Proteomic Profiling Of Bromodomains Enables The Wide-Spectrum Evaluation Of Bromodomain Inhibitors In Living Cells
  作者:Li,Xin; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2019 卷标:141(29) 页码:11497-11505]
  
  1548053-08-2 = 823-58-5
  反应条件:1.1 Reagents: Trimethylphosphine Solvents: Toluene,Tetrahydrofuran; 1 H,Rt1.2 Reagents: Water; Rt; Rt -> 50 °C; 12 H,50 °C
  标题:Site-Selective Copper-Catalyzed Amination And Azidation Of Arenes And Heteroarenes Via Deprotonative Zincation
  作者:Hendrick,Charles E.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2017 卷标:139(33) 页码:11622-11628]
  
  141-30-0 = 823-58-5
  反应条件:1.1 Reagents: Zincate(1-),Dichloro(2,2,6,6-Tetramethyl-1-Piperidinyl)-,Lithium (1:1) Solvents: Tetrahydrofuran,Hexane; 1 H,Rt; Rt -> 0 °C1.2 Reagents: 1-Azido-1,2-Benziodoxol-3(1H)-One Catalysts: Copper(Ii) 2-Ethylhexanoate Solvents: Tetrahydrofuran; 0 °C; 0 °C -> Rt; 3 H,Rt1.3 Reagents: Isopropanol2.1 Reagents: Trimethylphosphine Solvents: Toluene,Tetrahydrofuran; 1 H,Rt2.2 Reagents: Water; Rt; Rt -> 50 °C; 12 H,50 °C
  标题:Site-Selective Copper-Catalyzed Amination And Azidation Of Arenes And Heteroarenes Via Deprotonative Zincation
  作者:Hendrick,Charles E.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2017 卷标:139(33) 页码:11622-11628]
  
  141-30-0 = 823-58-5
  反应条件:1.1 Reagents: Sodium Hydroxide,Chlorine Solvents: Water; 100 °C -> 120 °C; 6 H,120 °C2.1 Reagents: Ammonia Solvents: Methanol; Rt -> 80 °C; 8 H,80 °C2.2 Solvents: Water; 2 H,80 °C
  标题:Synthesis Of 4-Aminopyridazine
  作者:Zhang,Hai-Xiang; Et Al
  参考文献:Yingyong Huagong 日期:2013 卷标:42(8) 页码:1489-1491]
  
  15456-86-7 = 823-58-5
  反应条件:1.1 Reagents: Phosphorus Oxychloride; 5 H,110 °C2.1 Reagents: Ammonia Solvents: 1,4-Dioxane,Water; 12 H,90 °C
  标题:Access To 4-Alkylaminopyridazine Derivatives Via Nitrogen-Assisted Regioselective Pd-Catalyzed Reactions
  作者:Blaise,Emilie; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(21) 页码:10311-10322]
  
  51149-08-7 = 823-58-5
  反应条件:1.1 Reagents: Triethylamine,Diphenylphosphoryl Azide Solvents: 1,4-Dioxane; 5 H,110 °C2.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 16 H,Rt
  标题:Design,Synthesis,Crystallographic Studies,And Preliminary Biological Appraisal Of New Substituted Triazolo[4,3-B]Pyridazin-8-Amine Derivatives As Tankyrase Inhibitors
  作者:Liscio,Paride; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(6) 页码:2807-2812]
  
  19064-64-3 = 823-58-5
  反应条件:1.1 Reagents: Potassium Hydroxide,Permanganic Acid (Hmno4),Potassium Salt (1:1) Solvents: Acetonitrile,Water; 30 Min,Rt; 6 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 12.1 Reagents: Triethylamine,Diphenylphosphoryl Azide Solvents: 1,4-Dioxane; 5 H,110 °C3.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 16 H,Rt
  标题:Design,Synthesis,Crystallographic Studies,And Preliminary Biological Appraisal Of New Substituted Triazolo[4,3-B]Pyridazin-8-Amine Derivatives As Tankyrase Inhibitors
  作者:Liscio,Paride; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(6) 页码:2807-2812]
  
  1834-27-1 = 823-58-5
  反应条件:1.1 Reagents: Phosphorus Oxychloride; 2 H,Reflux2.1 Reagents: Potassium Hydroxide,Permanganic Acid (Hmno4),Potassium Salt (1:1) Solvents: Acetonitrile,Water; 30 Min,Rt; 6 H,Rt2.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 13.1 Reagents: Triethylamine,Diphenylphosphoryl Azide Solvents: 1,4-Dioxane; 5 H,110 °C4.1 Reagents: Trifluoroacetic Acid Solvents: Dichloromethane; 16 H,Rt
  标题:Design,Synthesis,Crystallographic Studies,And Preliminary Biological Appraisal Of New Substituted Triazolo[4,3-B]Pyridazin-8-Amine Derivatives As Tankyrase Inhibitors
  作者:Liscio,Paride; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(6) 页码:2807-2812

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