CAS: 95753-55-2; Fmoc-Phe(4-No2)-Oh

• 英文名称Fmoc-Phe(4-No2)-Oh
• 中文名称Fmoc-对硝基-L-苯丙氨酸
• IUPAC名称(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-nitrophenyl)propanoic acid
• 其它别名N9芴甲氧羰基4硝基l苯丙氨酸; Fmoc-Phe(4-No2)-Oh
• CAS编号95753-55-2
• MFCD编号:MFCD00057810
• EINECS号:688-912-0
• 分子式:C24H20N2O6
• 分子量:432.43
• 产品CID: 2012120
• 产品分类有机原料→生命科学→氨基酸及其衍生物→苯丙氨酸及其衍生物

• 相似结构搜索
• InChIKey: RZRRJPNDKJOLHI-QFIPXVFZSA-N
• InChI=1S/C24H20N2O6/c27-23(28)22(13-15-9-11-16(12-10-15)26(30)31)25-24(29)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2…
• 计算化学: 氢键受体数5.0氢键供体数2可旋转键数7

相似化合物

物理性质

• 熔点213-223 °C
• 沸点692.3°C at 760 mmHg
• 闪点372.5±31.5 °C
• 密度1.4±0.1 g/cm3
• pKa:3.59±0.10(预测)
• PSA:118.77
• LogP:4.1292
• 折射率1.650
• 蒸汽压0.0±2.3 mmHg at 25°C
• 溶解性Almost Transparency In N,N-DMF
• 敏感性常温常压下稳定，避免与强氧化剂接触。
• 外观形态白色至淡黄色粉末至晶体
• 储存条件密封干燥,2-8°C

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H319-H335
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明22-24/25
• WGK Germany3

上下游产品

合成工艺路线路线简述

• 合成目标产物 Fmoc-4-Nitro-L-Phenylalanine 主要起始原料 L-Phenylalanine
• 28920-43-6 + 949-99-5 = 95753-55-2
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: 1,4-Dioxane,Water1.2 Solvents: 1,4-Dioxane; Overnight,0 °C; Ph 2
  标题:Chemistry For Dota Peptide Labeling At Phenylalanine Residues: On The Road To Preparing Peptide Ligand Tagged Libraries
  作者:De Leon-Rodriguez,Luis M.; Kovacs,Zoltan; Sherry,Alan D.
  参考文献:Letters In Organic Chemistry 日期:2005 卷标:2(2) 页码:160-164]
  
  949-99-5 + 82911-69-1 = 95753-55-2
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Acetonitrile,Water; 3 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 4 - 5,Rt
  标题:Synthesis Of New Tetrazolyl Derivatives Of L- And D-Phenylalanine
  作者:Tolstyakov,V. V.; Tolstobrova,E. S.; Zarubina,O. S.; Popova,E. A.; Protas,A. V.; Et Al
  参考文献:Russian Journal Of Organic Chemistry 日期:2016 卷标:52(11) 页码:1681-1685]
  
  28920-43-6 + 63-91-2 = 95753-55-2
  反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid1.2 -
  标题:Insertion Of An Internal Dipeptide Into Pna Oligomers: Thermal Melting Studies And Further Functionalization
  作者:Kersebohm,Tim; Kirin,Srecko I.; Metzler-Nolte,Nils
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2006 卷标:16(11) 页码:2964-2968]
  
  = 95753-55-2 [标题:Reaction Conditions
  标题:Solid Phase And Combinatorial Synthesis Of Benzodiazepines On A Solid Support
  参考文献:United States]
  
  = 95753-55-2 [标题:Reaction Conditions
  标题:Chiral Analysis Of The Reaction Stages In The Edman Method For Sequencing Peptides
  作者:Davies,John S.; Mohammed,A. Karim A.
  参考文献:Journal Of The Chemical Society 日期:1984 卷标:(10) 页码:1723-7]
  
  28920-43-6 + 949-99-5 = 95753-55-2
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: 1,4-Dioxane,Water; 0 °C; Overnight,0 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
  标题:From Head To Tail: Microwave-Assisted Synthesis Of Para Hydrazine Nicotinamide Phenylalanine8-Oxytocin Derivatives
  作者:Miranda-Olvera,Alma D.; Espejel,Ignacio A. Rivero; De Leon Rodriguez,Luis M.
  参考文献:Letters In Organic Chemistry 日期:2007 卷标:4(4) 页码:261-264]
  
  28920-43-6 + 949-99-5 = 95753-55-2
  反应条件:1.1 Solvents: 1,4-Dioxane; Rt1.2 Reagents: Sodium Carbonate Solvents: Water; Rt -> 0 °C1.3 Solvents: 1,4-Dioxane; 0 °C; 0 °C -> Rt; 2 D,Rt
  标题:Process For The Preparation Of Amino Acid Derivatives Of Macrocyclic Tetraaza Compounds
  参考文献:Mexico]
  
  28920-43-6 + 60666-02-6 = 95753-55-2
  反应条件:1.1 Reagents: Ethylenediamine Solvents: Methanol,Water; 20 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: 1,4-Dioxane,Water; Rt -> 0 °C; 1.5 H,0 °C; 10 H,Rt1.3 Reagents: Lithium Hydroxide,Monohydrate Solvents: Tetrahydrofuran,Water; 1 H,0 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Pd(Ii)-Catalyzed C(Sp3)-H Arylation Of Amino Acid Derivatives With Click-Triazoles As Removable Directing Groups
  作者:Zhang,Guofu; Xie,Xiaoqiang; Zhu,Jianfei; Li,Shasha; Ding,Chengrong; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2015 卷标:13(19) 页码:5444-5449]
  
  95753-55-2 = 95753-55-2
  反应条件:1.1 Reagents: 1-Methylimidazole,Msnt Solvents: Dichloromethane; 1 H,Rt
  标题:Preparation Of Macrocyclized Peptides As Tumor Necrosis Factor Alpha Inhibitors
  参考文献:World Intellectual Property Organization]
  
  92954-90-0 = 95753-55-2
  反应条件:1.1 Reagents: Piperidine Solvents: Dimethylformamide
  标题:Preparation Of Indole Nitriles As Cysteine Protease,In Particular Cathepsin K Inhibitors
  参考文献:United States]
  
  = 95753-55-2 [标题:Reaction Conditions
  标题:Triazene As A Powerful Tool For Solid-Phase Derivatization Of Phenylalanine Containing Peptides: Zygosporamide Analogues As A Proof Of Concept
  作者:Torres-Garcia,Carolina; Pulido,Daniel; Albericio,Fernando; Royo,Miriam; Nicolas,Ernesto
  参考文献:Journal Of Organic Chemistry 日期:2014 卷标:79(23) 页码:11409-11415]
  
  = 95753-55-2 [标题:Reaction Conditions
  标题:Two Novel Amino Acid Derivatives Containing Side-Chain Thioamides For The Synthesis Of Photoactivatable Peptides
  作者:Singh,Preeti; Hurrell,Craig R.; Findlay,John B. C.; Fishwick,Colin W. G.
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:1997 卷标:7(6) 页码:715-718

海关参考信息

• 2902600000-乙苯
  2905121000-正丙醇
  2912110000-甲醛
  2912120000-乙醛
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