CAS: 959237-68-4; 7-Bromo-2,4-Dichloroquinazoline

• 英文名称7-Bromo-2,4-Dichloroquinazoline
• 中文名称2,4-二氯-7-溴喹唑啉
• IUPAC名称7-bromo-2,4-dichloroquinazoline
• 其它别名7-溴-2,4-二氯喹唑啉; 2,4-Dichloro-7-Bromoquinazoline
• CAS编号959237-68-4
• MFCD编号:MFCD09954890
• EINECS号:823-157-4
• 分子式:C8H3BrCl2N2
• 分子量:277.94
• 产品CID: 2014072
• 产品分类有机原料→分子砌块→芳杂环类化合物→喹唑啉类化合物

• 相似结构搜索
• InChIKey: RDCSNKDVAPJWGR-UHFFFAOYSA-N
• InChI=1S/C8H3BrCl2N2/c9-4-1-2-5-6(3-4)12-8(11)13-7(5)10/h1-3H…
• 计算化学: 氢键受体数2.0氢键供体数0可旋转键数0

物理性质

• 沸点330.2±24.0 °C at 760 mmHg
• 密度1.851±0.06 g/cm3(预测)
• pKa:-1.17±0.30(预测)
• PSA:25.78
• LogP:3.6991
• 外观形态白色至黄色固体
• 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
  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)
  严重眼刺激 类别2A
• 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.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
• 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

• 114703-12-7 = 959237-68-4
  反应条件:1.1 Reagents: N,N-Dimethylaniline,Phosphorus Oxychloride; Rt; 4 H,100 °C1.2 Reagents: Water; 0 °C
  标题:Preparation Of Nucleotides As Cd73 Inhibitors
  参考文献:World Intellectual Property Organization]
  
  114703-12-7 = 959237-68-4
  反应条件:1.1 Reagents: Diisopropylethylamine,Phosphorus Oxychloride; Rt; 36 H,Reflux
  标题:Morpholinylquinazolines As Dna-Pk Inhibitors And Their Preparation And Use In The Treatment Of Cancer
  参考文献:World Intellectual Property Organization]
  
  304858-65-9 = 959237-68-4
  反应条件:1.1 Reagents: Triethylamine,Triphenylphosphine Oxide Solvents: Chlorobenzene; 0 °C; 0.5 H,Rt1.2 5 H,120 °C; Cooled; 18 H,Rt
  标题:Preparation Of Quinazoline Derivatives And Their Use In The Treatment Of Ocular Disorders
  参考文献:World Intellectual Property Organization]
  
  304858-65-9 = 959237-68-4
  反应条件:1.1 Reagents: Triethylamine,Triphenylphosphine Oxide Solvents: Chlorobenzene; 0 °C; 0.5 H,Rt1.2 5 H,120 °C; Cooled; 18 H,Rt
  标题:Preparation Of Functionalized Quinazoline Compounds As Heparanase Inhibitors And Use Thereof
  参考文献:World Intellectual Property Organization]
  
  114703-12-7 = 959237-68-4
  反应条件:1.1 Reagents: Diisopropylethylamine,Phosphorus Oxychloride; 12 H,130 °C
  标题:Preparation Of Substituted 5-(Quinazolin-2-Yl)Pyrimidin-2-Amine Derivatives Useful As Pi3K/mtor Inhibitors For The Treatment Of Cancer
  参考文献:World Intellectual Property Organization]
  
  = 959237-68-4 [标题:Reaction Conditions
  标题:An Allosteric Modulator Binds To A Conformational Hub In The β2 Adrenergic Receptor
  作者:Liu,Xiangyu; Kaindl,Jonas; Korczynska,Magdalena; Stossel,Anne; Dengler,Daniela; Et Al
  参考文献:Nature Chemical Biology 日期:2020 卷标:16(7) 页码:749-755]
  
  114703-12-7 = 959237-68-4
  反应条件:1.1 Reagents: N,N-Diethylaniline,Phosphorus Oxychloride; 4 H,Reflux
  标题:Discovery And Sar Of A Novel Series Of Natriuretic Peptide Receptor-A (Npr-A) Agonists
  作者:Iwaki,Takehiko; Nakamura,Yuji; Tanaka,Taisaku; Ogawa,Yasuyuki; Iwamoto,Osamu; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2017 卷标:27(21) 页码:4904-4907]
  
  114703-12-7 = 959237-68-4
  反应条件:1.1 Reagents: N,N-Dimethylaniline,Phosphorus Oxychloride; 4 H,Reflux1.2 Reagents: Water; Cooled
  标题:Preparation Of Quinazoline Nucleotides As Cd73 Inhibitors
  参考文献:World Intellectual Property Organization]
  
  57-13-6 + 20776-50-5 = 959237-68-4
  反应条件:1.1 3 H,Rt -> 200 °C; 200 °C -> 80 °C1.2 Reagents: Water; 80 °C1.3 Reagents: N,N-Dimethylaniline,Phosphorus Oxychloride; 4 H,120 °C
  标题:Synthesis,Inhibitory Activity And In Silico Modeling Of Selective Cox-1 Inhibitors With A Quinazoline Core
  作者:Dvorakova,Marcela; Langhansova,Lenka; Temml,Veronika; Pavicic,Antonio; Vanek,Tomas; Et Al
  参考文献:Acs Medicinal Chemistry Letters 日期:2021 卷标:12(4) 页码:610-616]
  
  114703-12-7 = 959237-68-4
  反应条件:1.1 Reagents: Diisopropylethylamine,Phosphorus Oxychloride; 12 H,130 °C
  标题:Preparation Of Morpholinylheteroarylquinazolinylphenylcarbonylphenylurea Derivatives And Analogs For Use As Dual Pi3K/mtor Inhibitors
  参考文献:World Intellectual Property Organization]
  
  20776-48-1 + 57-13-6 = 959237-68-4
  反应条件:1.1 3 H,Rt -> 200 °C; Cooled1.2 Reagents: Water1.3 Reagents: N,N-Dimethylaniline,Phosphorus Oxychloride; 6 - 24 H,Reflux; Cooled1.4 Reagents: Water; 0 °C
  标题:Preparation Of Quinazolinediamine Derivatives For Use As Antibiotics
  参考文献:United States]
  
  114703-12-7 = 959237-68-4
  反应条件:1.1 Reagents: N,N-Dimethylaniline,Phosphorus Oxychloride; 6 - 24 H,Reflux
  标题:Characterizing The Antimicrobial Activity Of N2,N4-Disubstituted Quinazoline-2,4-Diamines Toward Multidrug-Resistant Acinetobacter Baumannii
  作者:Fleeman,Renee; Van Horn,Kurt S.; Barber,Megan M.; Burda,Whittney N.; Flanigan,David L.; Et Al
  参考文献:Antimicrobial Agents And Chemotherapy 日期:2017 卷标:61(6)]
  
  114703-12-7 = 959237-68-4
  反应条件:1.1 Reagents: Diisopropylethylamine,Phosphorus Oxychloride; 16 H,0 °C -> 110 °C1.2 Solvents: Water; 30 Min,Cooled
  标题:Triazoloquinazolines As Diacylglycerol Kinase Modulating Compounds And Their Preparation
  参考文献:World Intellectual Property Organization]
  
  114703-12-7 = 959237-68-4
  反应条件:1.1 Reagents: Diisopropylethylamine,Phosphorus Oxychloride; 4 H,100 °C; 100 °C -> Rt1.2 Reagents: Water; Rt
  标题:Heterocyclic Compounds As Prmt5 Inhibitors And Their Preparation
  参考文献:World Intellectual Property Organization

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