CAS: 96034-57-0; (2S,4R)-4-Hydroxy-1-(((4-Nitrobenzyl)Oxy)Carbonyl)Pyrrolidine-2-Carboxylic Acid

• 英文名称(2S,4R)-4-Hydroxy-1-(((4-Nitrobenzyl)Oxy)Carbonyl)Pyrrolidine-2-Carboxylic Acid
• 中文名称(2S,4R)-4-羟基-1-(((4-硝基苄基)氧基)羰基)吡咯烷-2-羧酸
• IUPAC名称(2S,4R)-4-hydroxy-1-(((4-nitrobenzyl)oxy)carbonyl)pyrrolidine-2-carboxylic acid
• 其它别名Trans-4-Hydroxy-1-(4-Nitrobenzyloxycarbonyl)-L-Proline; P-Nitro Benzyl 2(S) Carboxy Trans 4(R) Hydroxy L P; (2S,4R)-4-Hydroxy-1,2-Pyrrolidinedicarboxylic Acid 1-(4-Nitrobenzyl) Ester; (2S,4R)-4-Hydroxy-1-[(4-Nitrophenyl)Methoxycarbonyl]Pyrrolidine-2-Carboxylic Acid; 1,2-Pyrrolidinedicarboxylic Acid, 4-Hydroxy-, 1-[(4-Nitrophenyl)Methyl] Ester; (2S,4R)-1-(4-Nitrobenzyloxycarbonyl)-4-Hydroxyproline; 1,2-Pyrrolidinedicarboxylicacid, 4-Hydroxy-, 1-[(4-Nitrophenyl)Methyl] Ester, (2S,4R)-; (2S,4R)-1-((4-Nitrobenzyloxy)Carbonyl)-4-Hydroxypyrrolidine-2-Carboxylic Acid
• CAS编号96034-57-0
• MFCD编号:MFCD16294320
• 分子式:C13H14N2O7
• 分子量:310.26
• 产品CID: 2015920
• 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: JMJMJDNHVXYAOC-MNOVXSKESA-N
• InChI=1S/C13H14N2O7/c16-10-5-11(12(17)18)14(6-10)13(19)22-7-8-1-3-9(4-2-8)15(20)21/h1-4,10-11,16H,5-7H2,(H,17,18)/t10-,11+/m1/s1…
• 计算化学: 氢键受体数6.0氢键供体数2可旋转键数4

物理性质

• 熔点182-183 °C
• 沸点578.3±50.0 °C at 760 mmHg
• 闪点303.5±30.1 °C
• 密度1.6±0.1 g/cm3
• pKa:3.69±0.40(预测)
• PSA:130.21
• LogP:0.7512
• 折射率1.639
• 蒸汽压0.0±1.7 mmHg at 25°C
• 溶解性Dichloromethane (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol
• 外观形态白色至类白色固体
• 储存条件冰箱

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

上下游产品

合成工艺路线路线简述

• 合成目标产物 Trans-4-Hydroxy-1-(4-Nitrobenzyloxycarbonyl)-L-Proline 主要起始原料 4-Nitrobenzyl Alcohol
• 51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Solvents: Water; Rt -> 0 °C1.2 Reagents: Potassium Carbonate Solvents: Dichloromethane,Water; 1.5 H,0 °C; 2 H,0 °C; 2 H,Rt
  标题:Method For Preparing Side Chain Of Carbapenem Antibiotics
  参考文献:China]
  
  51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Toluene,Water; 1 H,Rt
  标题:Preparation Of N-Protected Intermediate For Synthesis Of Ertapenem
  参考文献:China]
  
  51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; 0.5 H,-5 °C; 3 H,-5 °C
  标题:New Synthesis Method Of Sidechain Of Meropenem
  作者:Lin,Qi-Si; Mou,Jie; Zhang,Ling
  参考文献:Guangzhou Huagong 日期:2013 卷标:41(22) 页码:47-48]
  
  51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 15 Min,Rt; Rt -> 5 °C1.2 Solvents: Dichloromethane; 0 - 5 °C; 5 °C -> 0 °C1.3 Reagents: Sulfuric Acid Solvents: Water; Ph 2 - 3,-5 - 0 °C; 15 Min,-5 - 0 °C
  标题:Novel Process For Preparation Of Doripenem
  参考文献:China]
  
  51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; Rt -> 0 °C1.2 15 Min,0 - 5 °C1.3 Solvents: Dichloromethane; 20 Min,0 - 5 °C; 3 H,0 - 5 °C1.4 Reagents: Sodium Hydroxide Solvents: Water; 20 Min,0 - 5 °C1.5 Solvents: Methanol; 0 - 5 °C1.6 Reagents: Sulfuric Acid; 0 - 5 °C
  标题:An Improved Process For The Preparation Of Carbapenem Intermediate
  参考文献:India]
  
  51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Toluene,Water; 1 H,5 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
  标题:Practical Large-Scale Synthesis Of The 2-Aminomethylpyrrolidin-4-Ylthio-Containing Side Chain Of The Novel Carbapenem Antibiotic Doripenem
  作者:Nishino,Yutaka; Komurasaki,Tadafumi; Yuasa,Tetsuya; Kakinuma,Makoto; Izumi,Kenji; Et Al
  参考文献:Organic Process Research & Development 日期:2003 卷标:7(5) 页码:649-654]
  
  619-73-8 + 51-35-4 = 96034-57-0
  反应条件:1.1 Catalysts: Pyridine Solvents: Dichloromethane; < 30 °C1.2 Solvents: Dichloromethane; < 30 °C1.3 20 - 23 °C1.4 Reagents: Sodium Hydroxide,Sodium Chloride Solvents: Water; Ph 7 - 7.5,0 - 5 °C; Ph 2 - 3,20 - 23 °C1.5 Reagents: Dichloromethane,Sodium Hydroxide,Sodium Chloride Solvents: Water; Ph 4 - 51.6 Reagents: Sodium Hydroxide Solvents: Water; 15 °C1.7 Reagents: Hydrochloric Acid Solvents: Water; Ph 2.5 - 4.3
  标题:Method And Device For Continuous Production Of Meropenem Side Chain Key Intermediate O Powder
  参考文献:China]
  
  51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Toluene; 1 H,0 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
  标题:Process For Preparation Of (2S,4S)-1-(4-Nitrobenzyloxycarbonyl)-2-[3-(Allyloxycarbonyl)Phenylaminocarbonyl]Pyrrolidine-4-Thiol
  参考文献:China]
  
  51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Toluene,Water; Cooled; 1 H,Cooled1.2 Reagents: Hydrochloric Acid Solvents: Water; 1 H,Ph 2,Cooled
  标题:Method For Preparation Of Ertapenem Sodium Salt
  参考文献:China]
  
  51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Ethyl Acetate,Water; 0 - 5 °C; 1 H,2 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 5 - 10 °C; 0.5 H,10 °C; 10 °C
  标题:A Process For Preparing Intermediates Of Doripenem
  参考文献:China]
  
  51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; 0 °C; 1 H,0 °C1.2 Reagents: Sulfuric Acid Solvents: Water; Ph 2
  标题:Process For Preparation Of Intermediate For Meropenem
  参考文献:China]
  
  51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 0 - 5 °C1.2 15 Min,0 - 5 °C1.3 Solvents: Dichloromethane; 30 Min,0 - 5 °C; 3 H,0 - 5 °C1.4 Reagents: Sodium Hydroxide Solvents: Water; 20 Min,0 - 5 °C1.5 Solvents: Methanol; 0 - 5 °C1.6 Solvents: Dichloromethane; 1.5 H,0 - 5 °C
  标题:An Improved Process For The Preparation Of Meropenem
  参考文献:India]
  
  51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 0 - 5 °C
  标题:Synthesis Of (2S,4S)-4-(Acetylthio)-2-[[[3-[(2-Propenyloxy)Carbonyl]Phenyl]Amino]Carbonyl]-1-Pyrrolidinecarboxylic Acid (4-Nitrophenyl)Methyl Ester
  作者:Zhong,Zhaojin; Wu,Yanbin; Liu,Jun
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2006 卷标:16(2) 页码:82-84]
  
  51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; < 5 °C; 3 H,0 - 5 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3
  标题:Preparation Of Meropenem Side Chain Optical Isomer For Detecting Impurities In Meropenem Side Chain Products
  参考文献:China]
  
  51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; 2 H,0 - 5 °C
  标题:Two N-Heterocyclic Rings-Containing Carbapenem Derivatives Useful In The Treatment Of Infection And Their Preparation
  参考文献:China]
  
  51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Dichloromethane,Water; 0 - 5 °C; 1 H,0 - 5 °C
  标题:Method For Synthesis Of Meropenem
  参考文献:China]
  
  51-35-4 + 4457-32-3 = 96034-57-0
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water1.2 -1.3 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Synthesis Of Carbapenem Antibiotic Ertapenem
  作者:Zhang,Yifeng; Chen,Hao; Peng,Jiuhe; Gao,Ruichang
  参考文献:Zhongguo Yaoke Daxue Xuebao 日期:2007 卷标:38(4) 页码:305-310

海关参考信息

• 2902300000-甲苯
  2905122000-异丙醇
  2905399002-1,4-丁二醇
  2906210000-苄醇
• 💡 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。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管