161797-99-5 (2-(4-羟基苯基)-4-甲基噻唑-5-羧酸乙酯,Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate)

CAS号:
161797-99-5
中文名称:
2-(4-羟基苯基)-4-甲基噻唑-5-羧酸乙酯
英文名称:
Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate
分子式:
C13H13NO3S
分子量:
263.312222242355

2-(4-羟基苯基)-4-甲基噻唑-5-羧酸乙酯(161797-99-5)名称与标识符

名称

中文别名:
2-(4-羟基苯基)-4-甲基噻唑-5-羧酸乙酯;2-(4-羟苯基)-4-甲基噻唑-5-甲酸乙酯;2-(4-羟苯基)-4-甲基噻唑-5-羧酸乙酯;2-(4-羟基苯基)-4-甲基噻唑-5-甲酸乙酯;非布司他中间体1;非布司他中间体2;非布索坦中间体;非布索坦中间体2;非布索坦中间体-1;4-羟基硫代苯甲酰胺;非布索坦杂质H;-(4-羟基苯基)-4-甲基噻唑-5-羧酸乙酯;2-(4-羟基苯基)-4-甲基噻吩-5-羧酸乙酯;2-(4-羟基苯基)-4-甲基-5-噻唑甲酸乙酯;非布司他杂质2-(4-羟基苯基)-4-甲基噻唑-5-羧酸乙酯;
英文别名:
Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate;Ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;5-Thiazolecarboxylic acid, 2-(4-hydroxyphenyl)-4-methyl-, ethyl ester;Ethyl 2-(4-hydroxyphenyl)-4-methyl-5-Thiazolecarboxylate;Febuxostat Intermediate Ⅰ;2-(4-Hydroxyphenyl)-4-methyl-thiazole-5-carboxylicacid ethyl ester;ethyl 4-methyl-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-thiazole-5-carboxylate;3-thiazole-5-carboxylate;Intermediates of Febuxostat;Ethyl 2-(4-hydroxyphenyl)-4-methyl-1;Febuxostat Descyano Hydroxy Ethyl Ester;2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate;2-(4-hydroxyphenyl)-4-Methyl-5-Thiazolecarboxylicacid ethyl ester;2-(4-Hydroxyphenyl)-4-methylthiazole-5-carboxytic acid ethyl ester;ethyl 2-(4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate;Ethyl2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate;2-(4-Hydroxyphenyl)-4-methyl-thiazole-5-carboxylic acid ethyl ester;Ethyl 2-(4-hydroxyp;AM20030088;AKOS001332615;Ethyl 2-(4-Hydroxyphenyl)-4-Methyl-5-Thiazol Carboxylate;FT-0657460;161797-99-5;DS-13005;A3586;Ethyl 2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylate, AldrichCPR;CS-W012464;4-Hydroxy-phenyl-4-methyl-thiazole-5-carboxylic acid ethyl ester;(2Z)-3-(3-ETHOXY-4-HYDROXYPHENYL)-2-PHENYLACRYLICACID;Q-103508;Ethyl 4-methyl-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2,3-dihydro-1,3-thiazole-5-carboxylate;DTXSID00428280;SCHEMBL290384;LOCYSKNNFCGDTR-UHFFFAOYSA-N;Z118594984;AC-5908;BCP23151;2-(4-hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester;2-(4-hydroxy-phenyl)-4-methyl-thiazole-5-carboxylic acid ethyl ester;AQ-383/41557635;DB-002198;2-(4-Hydroxyphenyl)-4-methylthiazole-5-carboxylic Acid Ethyl Ester; Ethyl 2-(4-Hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate;605-268-8;FE15829;

标识符

MDL:
MFCD03700424
InChIKey:
LOCYSKNNFCGDTR-UHFFFAOYSA-N
Inchi:
1S/C13H13NO3S/c1-3-17-13(16)11-8(2)14-12(18-11)9-4-6-10(15)7-5-9/h4-7,15H,3H2,1-2H3
SMILES:
S1C(C(=O)OCC)=C(C)N=C1C1C=CC(=CC=1)O

2-(4-羟基苯基)-4-甲基噻唑-5-羧酸乙酯(161797-99-5)物化性质

实验特性

  • LogP : 3.00080
  • PSA : 87.66000
  • 折射率 : 1.598
  • 沸点 : 426.8±55.0 °C at 760 mmHg
  • 熔点 : 180 ºC
  • 闪点 : 211.9±31.5 °C
  • 颜色与性状 : Powder
  • 密度 : 1.274

计算特性

  • 精确分子量 : 263.06200
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 4
  • 同位素质量 : 263.062
  • 重原子数量 : 18
  • 复杂度 : 292
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 3.2
  • 拓扑分子极性表面积 : 87.7

2-(4-羟基苯基)-4-甲基噻唑-5-羧酸乙酯(161797-99-5)海关数据

海关编码:
2934100090
海关数据:

中国海关编码:

2934100090

概述:

2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途

Summary:

2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

2-(4-羟基苯基)-4-甲基噻唑-5-羧酸乙酯(161797-99-5)生产方法和用途

用途:
1、非布索坦中间体

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2-(4-羟基苯基)-4-甲基噻唑-5-羧酸乙酯(161797-99-5)谱图信息

1H NMR300 MHzDMSO
1H NMR
13C NMR
13C NMR

2-(4-羟基苯基)-4-甲基噻唑-5-羧酸乙酯(161797-99-5)参考资料

Beilstein:
MFCD03700424
PubChem CID: