CAS: 79261-58-8; Z-Tic-Oh

• 英文名称Z-Tic-Oh
• 中文名称(S)-(+)-N-苄氧羰基-1,2,3,4-四氢异喹啉-3-羧酸
• IUPAC名称(S)-2-((benzyloxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
• 其它别名(3S)-2-苄氧羰基-1,2,3,4-四氢异喹啉-3-羧酸; 2,3(1H)-Isoquinolinedicarboxylic Acid, 3,4-Dihydro-, 2-(Phenylmethyl) Ester, (3S)-
• CAS编号79261-58-8
• MFCD编号:MFCD00672545
• EINECS号:621-821-6
• 分子式:C18H17NO4分子量:311.33
• 产品CID: 1787064
• 产品分类有机原料→分子砌块→芳杂环类化合物→四氢异喹啉类化合物

• 相似结构搜索
• InChIKey: YWVQGUBCAUFBCP-INIZCTEOSA-M
• InChI=1S/C18H17NO4/c20-17(21)16-10-14-8-4-5-9-15(14)11-19(16)18(22)23-12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,20,21)/t16-/m0/s1
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数3.0

相似化合物

物理性质

• 熔点137-141°C
• 沸点451.38 °C at 760 mmHg
• 闪点269.8 °C
• 密度1.309g/cm3
• pKa:3.86±0.20(预测)
• PSA:66.84
• LogP:2.8347
• 折射率23.5 ° (C=2, MeOH)
• 蒸汽压0 mmHg at 25 °C
• 敏感性远离氧化物。
• 外观形态白色至淡黄色固体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于准备对PEPTIDE DEFORMYLASE抑制剂BB-3497及其P2和P3类物进行抗菌性研究.

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
• 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.
• 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
• 安全声明37/39-26-36-36/37/39
• 危险类别码36/37/38

欧盟法规

上下游产品

合成工艺路线路线简述

• 98-88-4 + 74163-81-8 = 79261-58-8
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 36 H1.2 -
  标题:Synthesis Of A Novel Tetrahydroisoquinolino[2,1-C][1,4]Benzodiazepine Ring System With Dna Recognition Potential
  作者:Kothakonda,Kiran Kumar; Bose,D. Subhas
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2004 卷标:14(17) 页码:4371-4373]
  
  74163-81-8 = 79261-58-8
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: 1,4-Dioxane,Water; 30 Min,0 °C; 16 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2,0 °C
  标题:Discovery And Characterization Of Biased Allosteric Agonists Of The Chemokine Receptor Cxcr3
  作者:Milanos,Lampros; Brox,Regine; Frank,Theresa; Poklukar,Gasper; Palmisano,Ralf; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2016 卷标:59(5) 页码:2222-2243]
  
  74163-81-8 = 79261-58-8
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Total Syntheses Of Conformationally Constrained Didemnin B Analogues. Replacements Of N,O-Dimethyltyrosine With L-1,2,3,4-Tetrahydroisoquinoline And L-1,2,3,4-Tetrahydro-7-Methoxyisoquinoline
  作者:Tarver,James E. Jr.; Pfizenmayer,Amy J.; Joullie,Madeleine M.
  参考文献:Journal Of Organic Chemistry 日期:2001 卷标:66(23) 页码:7575-7587]
  
  77497-95-1 = 79261-58-8
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: 1,4-Dioxane,Water; 1.5 H,0 °C; 0 °C -> Rt; 1.5 H,Rt
  标题:Synthesis Of Tetrahydroisoquinoline-Diamine Ligands And Their Application In Asymmetric Transfer Hydrogenation
  作者:Peters,Byron K.; Chakka,Sai Kumar; Naicker,Tricia; Maguire,Glenn E. M.; Kruger,Hendrik G.; Et Al
  参考文献:Tetrahedron: Asymmetry 日期:2010 卷标:21(6) 页码:679-687]
  
  74163-81-8 = 79261-58-8
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 4 H,Rt
  标题:Stereoselective Synthesis Of Diazabicyclic β-Lactams Through Intramolecular Amination Of Unactivated C(Sp3)-H Bonds Of Carboxamides By Palladium Catalysis
  作者:Zhang,Shi-Jin; Sun,Wen-Wu; Cao,Pei; Dong,Xiao-Ping; Liu,Ji-Kai; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2016 卷标:81(3) 页码:956-968]
  
  13139-17-8 + 74163-81-8 = 79261-58-8
  反应条件:1.1 Reagents: Triethylamine Solvents: Dimethylformamide
  标题:Synthesis,Biological Activity And Molecular Modeling Studies Of 1,2,3,4-Tetrahydroisoquinoline Derivatives As Conformationally Constrained Analogues Of Kn62,A Potent Antagonist Of The P2X7-Receptor Containing A Tyrosine Moiety
  作者:Baraldi,Pier Giovanni; Makaeva,Rimma; Pavani,Maria Giovanna; Del Carmen Nunez,Maria; Spalluto,Giampiero; Et Al
  参考文献:Arzneimittel-Forschung 日期:2002 卷标:52(4) 页码:273-285]
  
  74163-81-8 = 79261-58-8 [标题:Reaction Conditions
  标题:Tetrahydroisoquinoline Derivatives
  参考文献:Federal Republic Of Germany

海关参考信息

• 2902600000-乙苯
  2905121000-正丙醇
  2906210000-苄醇
  2912110000-甲醛
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