CAS: 93281-65-3; 4-Bromo-N-Tert-Butylbenzenesulfonamide

• 英文名称4-Bromo-N-Tert-Butylbenzenesulfonamide
• 中文名称4-溴-N-叔丁基苯磺酰胺
• IUPAC名称4-bromo-N-(tert-butyl)benzenesulfonamide
• 其它别名4-溴-N-(叔丁基)苯磺酰胺; N-T-Butyl 4-Bromobenzenesulfonamide
• CAS编号93281-65-3
• MFCD编号:MFCD00458267
• 分子式:C10H14BrNO2S
• 分子量:292.2
• 产品CID: 1971130
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: NHMNSUKZJWPIQA-UHFFFAOYSA-N
• InChI=1S/C10H14BrNO2S/c1-10(2,3)12-15(13,14)9-6-4-8(11)5-7-9/h4-7,12H,1-3H3…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数2.0

物理性质

• 熔点96-98 °C
• 沸点355.4 °C at 760 mmHg
• 闪点168.7 °C
• 密度1.419 g/cm3
• pKa:11.67±0.50(预测)
• PSA:46.17
• LogP:2.5259
• 折射率1.549
• 蒸汽压3.13E-05 mmHg at 25 °C
• 外观形态固体
• 储存条件存储温度 2-8°C

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H315-H319-H335
• 防范说明P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
• 危险品标志Xi
• 风险等级Irritant

上下游产品

合成工艺路线路线简述

• 75-64-9 = 93281-65-3
  反应条件:1.1 Solvents: Dichloromethane; 0.5 H,0 °C
  标题:Five-And-Six-Membered Heterocyclic Compound,Its Preparation Method And Pharmaceutical Application
  参考文献:World Intellectual Property Organization]
  
  75-64-9 = 93281-65-3
  反应条件:1.1 Solvents: Dichloromethane; 0 °C; 1 H,Rt
  标题:Picolinamide And Pyrimidine-4-Carboxamide Compounds,Process For Preparing And Pharmaceutical Composition Comprising The Same
  参考文献:World Intellectual Property Organization]
  
  75-64-9 = 93281-65-3
  反应条件:1.1 Solvents: Dichloromethane; 10 Min,0 °C; 20 Min,Rt
  标题:Modulators Of Cystic Fibrosis Transmembrane Conductance Regulator
  参考文献:World Intellectual Property Organization]
  
  75-64-9 = 93281-65-3
  反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Dichloromethane; 1 H,Rt
  标题:Mtb Pkna/pknb Dual Inhibition Provides Selectivity Advantages For Inhibitor Design To Minimize Host Kinase Interactions
  作者:Wang,Tiansheng; Bemis,Guy; Hanzelka,Brian; Zuccola,Harmon; Wynn,Michael; Et Al
  参考文献:Acs Medicinal Chemistry Letters 日期:2017 卷标:8(12) 页码:1224-1229]
  
  75-64-9 = 93281-65-3
  反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Dichloromethane; Rt
  标题:Quinazoline Compound As Protein Kinase Jak Inhibitor And Its Preparation
  参考文献:China]
  
  75-64-9 = 93281-65-3
  反应条件:1.1 Reagents: Diisopropylethylamine Solvents: Dichloromethane; Overnight,Rt
  标题:Cycloalkyl Nitrile Pyrazolo Pyridones As Janus Kinase Inhibitors
  参考文献:World Intellectual Property Organization]
  
  75-64-9 = 93281-65-3
  反应条件:1.1 Solvents: Dichloromethane; 0 °C; Overnight,Rt
  标题:Selective Angiotensin Ii At2 Receptor Agonists: Benzamide Structure-Activity Relationships
  作者:Wallinder,Charlotta; Botros,Milad; Rosenstroem,Ulrika; Guimond,Marie-Odile; Beaudry,Helene; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2008 卷标:16(14) 页码:6841-6849]
  
  75-64-9 = 93281-65-3
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; Overnight,0 °C
  标题:Preparation Of (Sulfonylphenylnaphthyl)-Substituted Piperidines As Selective Estrogen Receptor Modulators (Serms) For Treating Endometriosis And/or Uterine Leiomyoma
  参考文献:World Intellectual Property Organization]
  
  84379-72-6 + 701-34-8 = 93281-65-3
  反应条件:1.1 Reagents: Lithium Tetrafluoroborate Catalysts: 12-Phenyl-12H-Benzo[b]Phenothiazine Solvents: Dichloromethane; 24 H,40 °C1.2 Reagents: Sodium Hydroxide Solvents: Water
  标题:Organophotoredox-Catalyzed Decarboxylative N-Alkylation Of Sulfonamides
  作者:Nakagawa,Masanari; Nagao,Kazunori; Ikeda,Zenichi; Reynolds,Matthew; Ibanez,Ignacio; Et Al
  参考文献:Chemcatchem 日期:2021 卷标:13(18) 页码:3930-3933]
  
  75-64-9 = 93281-65-3
  反应条件:1.1 Solvents: Dichloromethane; 16 H,Rt
  标题:Preparation Of 4-(4-Cyano-1H-Pyrrol-2-Yl)Benzenesulfonamide Useful For Modulation Of The Progesterone Receptor
  参考文献:United States]
  
  75-64-9 = 93281-65-3
  反应条件:1.1 Solvents: Tetrahydrofuran; 30 Min,Reflux
  标题:Preparation Of 2,3,5-Trisubstituted Pyridines As Inhibitors Of Cyclooxygenase-2
  参考文献:World Intellectual Property Organization]
  
  = 93281-65-3 [标题:Reaction Conditions
  标题:Selective Angiotensin Ii At2 Receptor Agonists: Benzamide Structure-Activity Relationships. [erratum To Document Cited In Ca149:369641]
  作者:Wallinder,Charlotta; Botros,Milad; Rosenstroem,Ulrika; Guimond,Marie-Odile; Beaudry,Helene; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2008 卷标:16(18)

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