CAS: 83249-56-3; Ethyl 2-Acetamido-3-[3,5-Diiodo-4-(4-Methoxyphenoxy)Phenyl]Propanoate

该化合物是合成有机化合物,其结构复杂,包括乙基乙酯组,乙基氨基甲基和二碘苯基组.该化合物通常具有与其酯和芳香成分相关的特性,例如有机溶剂中的中溶性以及由于存在碘替代成分而具有的潜在生物活动,这可以加强它与生物系统的再活动与互动.甲基氧苯氧基组可能助长其脂性,影响其药用皮肤特性.此外,乙基氨基氨基甲组的存在表明氢联结的潜力,可能影响其在各种化学环境中的相互作用.

英文名称Ethyl 2-Acetamido-3-[3,5-Diiodo-4-(4-Methoxyphenoxy)Phenyl]Propanoate
中文名称3,5-二碘-4-(4-甲氧苯氧基)-N-乙酰-L-苯丙氨酸乙酯
IUPAC名称ethyl (2S)-2-acetamido-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoate
其它别名3,5-Diiodo-4-(4-methoxyphenoxy)-N-acetyl-L-phenylalanine ethyl ester
CAS编号83249-56-3
MFCD编号:MFCD00729047
EINECS号:815-708-2
分子式:C20H21I2NO5分子量:609.19
产品CID: 1821370
产品分类生物化工 → 氨基酸及其衍生物 → 苯丙氨酸类衍生物

相似结构搜索
InChIKey: LCJKMEUFNHSFPB-UHFFFAOYSA-N
InChI=1S/C20H21I2NO5/c1-4-27-20(25)18(23-12(2)24)11-13-9-16(21)19(17(22)10-13)28-15-7-5-14(26-3)6-8-15/h5-10,18H,4,11H2,1-3H3,(H,23,24)/t18-/m0/s1
计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数9.0

MSDS等安全信息

危险类别水生慢性毒性类别4
危险描述H413 |可能对水生生物造成长期有害影响.
防范说明P273, and P501

欧盟法规

REACH注册

上下游产品

合成工艺路线路线简述

合成目标产物 Ethyl 2-(Acetylamino)-3-[3,5-Diiodo-4-(4-Methoxyphenoxy)Phenyl]Propanoate 主要起始原料 4-Methoxyphenylboronic Acid And N-Acetyl-3,5-Diiodo-L-Tyrosine Ethyl Ester
5720-07-0 + 21959-36-4 = 83249-56-3
反应条件:1.1 Reagents: Pyridine,Triethylamine Catalysts: Cupric Acetate Solvents: Dichloromethane; 20 H,Rt
标题:Conjugated Synthesis Of L-Thyroxine And L-Triiodothyronine
作者:Martinovich,V. P.; Et Al
参考文献:Vestsi Natsyyanal'Nai Akademii Navuk Belarusi 日期:2004 卷标:(1) 页码:85-92]

440667-78-7 = 83249-56-3
反应条件:1.1 Reagents: Sodium Nitrite,Sodium Iodide,Hydrogen Ion Solvents: Water
标题:Synthesis And Characterization Of Potential Impurities In Levothyroxine
作者:Panmanad,Deepak; Et Al
参考文献:Chemical Science Transactions 日期:2016 卷标:5(4) 页码:1082-1089]

83290-90-8 = 83249-56-3
反应条件:1.1 Reagents: Hydrogen Catalysts: Nickel2.1 Reagents: Sodium Nitrite,Sodium Iodide,Hydrogen Ion Solvents: Water
标题:Synthesis And Characterization Of Potential Impurities In Levothyroxine
作者:Panmanad,Deepak; Et Al
参考文献:Chemical Science Transactions 日期:2016 卷标:5(4) 页码:1082-1089]

150-76-5 + 21959-36-4 = 83249-56-3
反应条件:1.1 Reagents: Tosyl Chloride,Pyridine; 15 Min,70 - 80 °C1.2 5 Min,70 - 80 °C; 75 Min,Reflux2.1 Reagents: Hydrochloric Acid,Tin Dichloride Dihydrate Solvents: Water; 60 °C2.2 Solvents: Methanol; 60 Min2.3 Reagents: Acetic Acid,Sulfuric Acid,Nitrosylsulfuric Acid; 30 Min,5 - 10 °C; 20 Min,Rt2.4 Reagents: Urea,Iodine,Sodium Iodide Solvents: Chloroform,Water; 90 Min,Rt
标题:Conjugated Synthesis Of L-Thyroxine And L-Triiodothyronine
作者:Martinovich,V. P.; Et Al
参考文献:Vestsi Natsyyanal'Nai Akademii Navuk Belarusi 日期:2004 卷标:(1) 页码:85-92]

150-76-5 + 29358-99-4 = 83249-56-3
反应条件:1.1 Reagents: P-Toluenesulfonic Acid,Pyridine2.1 Reagents: Hydrogen Catalysts: Nickel3.1 Reagents: Sodium Nitrite,Sodium Iodide,Hydrogen Ion Solvents: Water
标题:Synthesis And Characterization Of Potential Impurities In Levothyroxine
作者:Panmanad,Deepak; Et Al
参考文献:Chemical Science Transactions 日期:2016 卷标:5(4) 页码:1082-1089]

150-76-5 + 29358-99-4 = 83249-56-3
反应条件:1.1 Solvents: Pyridine; Rt -> 40 °C1.2 Reagents: Tosyl Chloride Solvents: Pyridine; 40 °C -> 65 °C1.3 Solvents: Pyridine; 65 °C -> 120 °C; 140 - 160 Min,115 - 120 °C; 115 °C -> 60 °C2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol,Water; 10 Min,Rt; Rt -> 60 °C; 60 - 65 °C3.1 Reagents: Sulfuric Acid Solvents: Acetic Acid; 20 - 25 °C3.2 Reagents: Sodium Nitrite Solvents: Water; 20 °C -> -10 °C; -20 - -15 °C3.3 Reagents: Urea Solvents: Water3.4 Reagents: Iodine,Potassium Iodide Solvents: Acetone,Water; 30 - 50 Min,15 - 20 °C
标题:Process For The Production Of Thyroid Hormones And Their Salts And Derivatives,Including Thyroxine And Triiodothyronine And Their Free Bases And Monosodium Salts,Via Their Disodium Salts
参考文献:Italy]

17360-11-1 = 83249-56-3
反应条件:1.1 Reagents: Sodium Hydroxide2.1 Reagents: P-Toluenesulfonic Acid3.1 Reagents: P-Toluenesulfonic Acid,Pyridine4.1 Reagents: Hydrogen Catalysts: Nickel5.1 Reagents: Sodium Nitrite,Sodium Iodide,Hydrogen Ion Solvents: Water
标题:Synthesis And Characterization Of Potential Impurities In Levothyroxine
作者:Panmanad,Deepak; Et Al
参考文献:Chemical Science Transactions 日期:2016 卷标:5(4) 页码:1082-1089]

5720-07-0 + 21959-36-4 = 83249-56-3
反应条件:1.1 Reagents: Triethylamine Catalysts: Cupric Acetate Solvents: Dichloromethane
标题:Synthesis Of Diaryl Ethers Through The Copper-Promoted Arylation Of Phenols With Arylboronic Acids. An Expedient Synthesis Of Thyroxine
作者:Evans,David A.; Et Al
参考文献:Tetrahedron Letters 日期:1998 卷标:39(19) 页码:2937-2940]

440667-78-7 = 83249-56-3
反应条件:1.1 Reagents: Sulfuric Acid Solvents: Acetic Acid; 20 - 25 °C1.2 Reagents: Sodium Nitrite Solvents: Water; 20 °C -> -10 °C; -20 - -15 °C1.3 Reagents: Urea Solvents: Water1.4 Reagents: Iodine,Potassium Iodide Solvents: Acetone,Water; 30 - 50 Min,15 - 20 °C
标题:Process For The Production Of Thyroid Hormones And Their Salts And Derivatives,Including Thyroxine And Triiodothyronine And Their Free Bases And Monosodium Salts,Via Their Disodium Salts
参考文献:Italy]

83290-90-8 = 83249-56-3
反应条件:1.1 Reagents: Hydrochloric Acid,Tin Dichloride Dihydrate Solvents: Water; 60 °C1.2 Solvents: Methanol; 60 Min1.3 Reagents: Acetic Acid,Sulfuric Acid,Nitrosylsulfuric Acid; 30 Min,5 - 10 °C; 20 Min,Rt1.4 Reagents: Urea,Iodine,Sodium Iodide Solvents: Chloroform,Water; 90 Min,Rt
标题:Conjugated Synthesis Of L-Thyroxine And L-Triiodothyronine
作者:Martinovich,V. P.; Et Al
参考文献:Vestsi Natsyyanal'Nai Akademii Navuk Belarusi 日期:2004 卷标:(1) 页码:85-92]

83290-90-8 = 83249-56-3
反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol,Water; 10 Min,Rt; Rt -> 60 °C; 60 - 65 °C2.1 Reagents: Sulfuric Acid Solvents: Acetic Acid; 20 - 25 °C2.2 Reagents: Sodium Nitrite Solvents: Water; 20 °C -> -10 °C; -20 - -15 °C2.3 Reagents: Urea Solvents: Water2.4 Reagents: Iodine,Potassium Iodide Solvents: Acetone,Water; 30 - 50 Min,15 - 20 °C
标题:Process For The Production Of Thyroid Hormones And Their Salts And Derivatives,Including Thyroxine And Triiodothyronine And Their Free Bases And Monosodium Salts,Via Their Disodium Salts
参考文献:Italy]

20767-00-4 = 83249-56-3
反应条件:1.1 Reagents: P-Toluenesulfonic Acid2.1 Reagents: P-Toluenesulfonic Acid,Pyridine3.1 Reagents: Hydrogen Catalysts: Nickel4.1 Reagents: Sodium Nitrite,Sodium Iodide,Hydrogen Ion Solvents: Water
标题:Synthesis And Characterization Of Potential Impurities In Levothyroxine
作者:Panmanad,Deepak; Et Al
参考文献:Chemical Science Transactions 日期:2016 卷标:5(4) 页码:1082-1089]

20767-00-4 = 83249-56-3
反应条件:1.1 Reagents: Thionyl Chloride; 1 H,Rt -> 35 °C; 35 °C -> 80 °C; 1 H,80 °C; 80 °C -> Rt1.2 Solvents: Ethanol; 30 - 40 Min,Reflux; 2 H,Reflux2.1 Solvents: Pyridine; Rt -> 40 °C2.2 Reagents: Tosyl Chloride Solvents: Pyridine; 40 °C -> 65 °C2.3 Solvents: Pyridine; 65 °C -> 120 °C; 140 - 160 Min,115 - 120 °C; 115 °C -> 60 °C3.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol,Water; 10 Min,Rt; Rt -> 60 °C; 60 - 65 °C4.1 Reagents: Sulfuric Acid Solvents: Acetic Acid; 20 - 25 °C4.2 Reagents: Sodium Nitrite Solvents: Water; 20 °C -> -10 °C; -20 - -15 °C4.3 Reagents: Urea Solvents: Water4.4 Reagents: Iodine,Potassium Iodide Solvents: Acetone,Water; 30 - 50 Min,15 - 20 °C
标题:Process For The Production Of Thyroid Hormones And Their Salts And Derivatives,Including Thyroxine And Triiodothyronine And Their Free Bases And Monosodium Salts,Via Their Disodium Salts
参考文献:Italy]

60-18-4 = 83249-56-3
反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid Solvents: Water2.1 Reagents: Sodium Hydroxide3.1 Reagents: P-Toluenesulfonic Acid4.1 Reagents: P-Toluenesulfonic Acid,Pyridine5.1 Reagents: Hydrogen Catalysts: Nickel6.1 Reagents: Sodium Nitrite,Sodium Iodide,Hydrogen Ion Solvents: Water
标题:Synthesis And Characterization Of Potential Impurities In Levothyroxine
作者:Panmanad,Deepak; Et Al
参考文献:Chemical Science Transactions 日期:2016 卷标:5(4) 页码:1082-1089