CAS: 923590-95-8; 4-Bromoisoindoline Hydrochloride

• 英文名称4-Bromoisoindoline Hydrochloride
• 中文名称4-溴异吲哚啉盐酸盐
• IUPAC名称4-bromoisoindoline hydrochloride
• 其它别名4-溴-2,3-二氢-1H-异吲哚盐酸; 4-Bromo-Isoindoline Hcl
• CAS编号923590-95-8
• MFCD编号:MFCD10700134
• EINECS号:618-839-1
• 分子式:C8H9BrClN
• 分子量:234.52
• 产品CID: 1961440
• 产品分类有机原料→分子砌块→芳杂环类化合物→其它芳杂环类化合物

• 相似结构搜索
• InChIKey: FQHLHVFOJBANKY-UHFFFAOYSA-N
• InChI=1S/C8H8BrN.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5H2;1H…
• 计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数0.0

物理性质

• 熔点269-274°C
• PSA:12.03
• LogP:2.4741
• 外观形态白色至淡黄色结晶粉末
• 储存条件2-8°C
• 产品应用该化合物用于制造作为HDAC抑制剂的异丁胺.

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
  严重眼刺激 类别2A
  急性毒性 类别4(经口)
• 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.
  H302 |吞咽有害.
• 防范说明P261-P264-P271-P273-P280-P302+P352-P304+P340-P362+P364-P391-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明22-26-36/37/39
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 109-94-4 + 6952-59-6 = 923590-95-8
  反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran,Hexane; -65 °C; 5 Min,-70 °C1.2 5 Min,-70 °C1.3 Solvents: Water; Cooled1.4 Reagents: (Dimethyl Sulfide)Trihydroboron Solvents: Toluene; 10 Min,55 °C; 55 °C -> 110 °C; Overnight,110 °C1.5 Reagents: Hydrochloric Acid Solvents: Isopropanol; 75 °C
  标题:Synthesis Of The Hcv Protease Inhibitor Vaniprevir (Mk-7009) Using Ring-Closing Metathesis Strategy
  作者:Kong,Jongrock; Chen,Cheng-Yi; Balsells-Padros,Jaume; Cao,Yang; Dunn,Robert F.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2012 卷标:77(8) 页码:3820-3828]
  
  1372882-57-9 = 923590-95-8
  反应条件:1.1 Reagents: Boron Trifluoride Etherate,Sodium Borohydride Solvents: Tetrahydrofuran; 5 Min,Rt1.2 2 H,Rt -> 60 °C; 60 °C -> Rt1.3 Reagents: Sodium Hydroxide Solvents: Ethyl Acetate,Water; Ph 12
  标题:Process And Intermediates For Preparing Macrolactam Peptidomimetic Hcv Protease Inhibitors Via Ring-Closing Metathesis
  参考文献:World Intellectual Property Organization]
  
  337536-15-9 = 923590-95-8
  反应条件:1.1 Reagents: Boron Trifluoride Etherate,Sodium Borohydride Solvents: Tetrahydrofuran; 0 °C; 0 °C -> 70 °C; 8 H,70 °C; 70 °C -> 0 °C1.2 Solvents: Methanol; 0 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 3 - 4,0 °C; 0 °C -> 70 °C; 8 H,70 °C
  标题:Process For Synthesis Of Hcv Virus Ns3/4A Inhibitor Intermediate
  参考文献:China]
  
  = 923590-95-8 [标题:Reaction Conditions
  标题:Preparation Method Of 4-Halogenated Isoindoline Hydrochloride
  参考文献:China]
  
  = 923590-95-8 [标题:Reaction Conditions
  标题:Process And Intermediates For Preparing Macrolactams
  参考文献:United States]
  
  = 923590-95-8 [标题:Reaction Conditions
  标题:Processes For Preparing Protease Inhibitors Of Hepatitis C Virus
  参考文献:United States]
  
  1035235-27-8 = 923590-95-8
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Dichloromethane,1,4-Dioxane; 0 °C; 2 H,Rt
  标题:Heterocyclic Benzamide Compounds As Mlh1 And/or Pms2 Proteins Inhibitors And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Cancer
  参考文献:World Intellectual Property Organization]
  
  104-15-4 + 923590-78-7 = 923590-95-8
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Isopropyl Acetate,Chlorobenzene,Water; 1 H,Ph 7,Rt; 5 Min,Ph 12,Rt; 30 Min,Rt1.2 Reagents: 1-Chloroethyl Chloroformate; 40 Min,Rt; Rt -> 90 °C; 3.5 H,90 °C; 20 Min,Rt1.3 Solvents: Chlorobenzene; 90 °C1.4 Reagents: Methanol,1-Chloroethyl 4-Bromo-1,3-Dihydro-2H-Isoindole-2-Carboxylate; 15 Min,Rt; 2 H,Rt -> 65 °C; 30 Min,Reflux; 20 Min,Reflux
  标题:Processes For Preparing Macrocyclic Compounds As Hepatitis C Virus Protease Inhibitors
  参考文献:World Intellectual Property Organization]
  
  923590-78-7 = 923590-95-8
  反应条件:1.1 Reagents: Formic Acid Catalysts: Palladium Solvents: Ethanol,Water; 2 - 3 H,60 - 65 °C; 65 °C -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 12 - 13,Rt1.3 Reagents: Hydrochloric Acid; 0 - 10 °C
  标题:Process For Preparation Of 4-Haloisoindoline Hydrochlorides
  参考文献:China]
  
  923590-92-5 = 923590-95-8
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethyl Acetate,Water; 30 Min,Rt1.2 Reagents: 1-Chloroethyl Chloroformate Solvents: Chlorobenzene; 5 Min,Rt; 2 H,Rt -> 90 °C
  标题:Preparation Of N-Prolyl-1-Aminocyclopropanecarboxylic Acid Peptides As Hcv Ns3 Protease Inhibitors
  参考文献:United States]
  
  923590-92-5 = 923590-95-8
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethyl Acetate,Water; 30 Min,Rt1.2 Reagents: 1-Chloroethyl Chloroformate Solvents: Chlorobenzene; 10 Min,Rt; 5 Min,Rt; 2 H,Rt -> 90 °C; 90 °C -> Rt
  标题:Preparation Of Macrocyclic Peptides As Hcv Ns3 Protease Inhibitors
  参考文献:World Intellectual Property Organization]
  
  923590-92-5 = 923590-95-8
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethyl Acetate,Water; 30 Min,Rt1.2 Solvents: Chlorobenzene; 10 Min,Rt1.3 Reagents: 1-Chloroethyl Chloroformate; 5 Min,Rt; 2 H,Rt -> 90 °C; 90 °C -> Rt
  标题:Preparation Of Macrocyclic Compounds As Hcv Ns3 Protease Inhibitors
  参考文献:United States

海关参考信息

• 2902300000-甲苯
  2921199090-其他无环单胺
• 💡 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。
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