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3-[(4-氨基-2-甲基嘧啶l)甲基]-5-(2-羟基乙基)-4-甲基噻唑-2(3h)-酮、
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
化合物简介
Thiamine impurity.
基本信息
CAS：490-82-4
中文别名：硫胺杂质D;
英文别名：Thiamine thiazolone;3-(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-aethyl)-4-methyl-3H-thiazol-2-on;3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-3H-thiazol-2-one;3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-(3H)-thiazolone;2(3h)-thiazolone,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl;thiamine thiazolin-2-one;Thiaminthiazolone;Oxo Thiamine;Tiamintiazolone [Italian];EINECS 207-719-0;(3H)-Thiazolone,3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl;
分子式：C12H16N4O2S
分子量：280.346
精确质量：280.099
Psa：122.27
Logp：1.0631
中文别名：硫胺杂质D;
英文别名：Thiamine thiazolone;3-(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-aethyl)-4-methyl-3H-thiazol-2-on;3-(4-amino-2-methyl-pyrimidin-5-ylmethyl)-5-(2-hydroxy-ethyl)-4-methyl-3H-thiazol-2-one;3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-(3H)-thiazolone;2(3h)-thiazolone,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl;thiamine thiazolin-2-one;Thiaminthiazolone;Oxo Thiamine;Tiamintiazolone [Italian];EINECS 207-719-0;(3H)-Thiazolone,3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl;
分子式：C12H16N4O2S
分子量：280.346
精确质量：280.099
Psa：122.27
Logp：1.0631
编号系统
EINECS号：207-719-0
物化性质
密度：1.378g/cm3
沸点：507ºC at 760mmHg
闪点：260.4ºC
折射率：1.662
蒸汽压：4.23E-11mmHg at 25°C
沸点：507ºC at 760mmHg
闪点：260.4ºC
折射率：1.662
蒸汽压：4.23E-11mmHg at 25°C
安全信息
生产方法及用途
合成路线
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参考文献
Thomas, Allen A.; De Meese; Le Huerou; Boyd, Steven A.; Romoff, Todd T.; Gonzales, Steven S.; Gunawardana, Indrani; Kaplan, Tomas; Sullivan, Francis; Condroski, Kevin; Lyssikatos, Joseph P.; Aicher, Thomas D.; Ballard, Josh; Bernat, Bryan; DeWolf, Walter; Han, May; Lemieux, Christine; Smith, Darin; Weiler, Solly; Wright, S. Kirk; Vigers, Guy; Brandhuber, Barb Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 2 p. 509 - 512
上游原料
下游产品
图谱
13C NMR : Predict
1H NMR : Predict
