2-氨基-4-甲基-噻吩-3-羧酸乙酯 (HCID 521132)

名称与标识

首选名称: Ethyl 2-amino-4-methylthiophene-3-carboxylate
IUPAC: ethyl 2-amino-4-methylthiophene-3-carboxylate
中文名: 2-氨基-4-甲基-噻吩-3-羧酸乙酯
英文名: ETHYL 2-AMINO-4-METHYLTHIOPHENE-3-CARBOXYLATE
分子式: C8H11NO2S
分子量: 185.24

名称与别名

Ethyl 2-amino-4-methylthiophene-3-carboxylate43088-42-2DTXSID00334559RefChem:138567DTXCID10285649674-825-5ILYCZKOBLRJJSW-UHFFFAOYSA-NMFCD000516693-Thiophenecarboxylic acid, 2-amino-4-methyl-, ethyl esterEthyl 2-amino-4-methyl-3-thiophenecarboxylate2-Amino-4-methylthiophene-3-carboxylic acid ethyl ester2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester

展开更多名称

2-氨基-4-甲基噻酚羧酸乙酯乙基2-氨基-4-甲基-3-羧酸2-氨基4-甲基-3-噻酚二羧酸乙酯2-氨基-4-甲基-3-噻吩甲酸乙酯2-氨基-4-甲基-3-噻吩羧酸乙酯2-氨基-4-甲基噻吩-3-甲酸乙酯2-氨基-4-甲基-噻吩-3-羧酸乙酯2-氨基4-甲基-3-噻酚-3-羧酸乙酯二茂铁乙炔/Ethynylferrocene2-氨基-4-甲基-噻吩-3-羧酸乙酯 1G2-aMino-4-Methylthiophene-3-carboxylatemethyl 2-amino-4-methylthiophene-3-carboxylateBUTTPARK 29\08-492-Amino-3-(ethoxycarbonyl)-4-methylthiophenethyl 2-amino-4-methylthiophene-3-carboxylateEethyl 2-amino-4-methylthiophene-3-carboxylate2-aMino-5-ethyl-4-Methylthiophene-3-carboxylateEthyl 2-Amino-4-methylthiophene-3-carboxylate >

ethyl2-amino-4-methylthiophene-3-carboxylateEthyl 2-amino-4-methyl-thiophene-3-carboxylateMaybridge1_003755SCHEMBL162443orb3031356HMS552C15Fr12526ALBB-012629

数据库标识

CAS: 43088-42-2
PubChem CID: 521132
DTXSID: DTXSID00334559
EC Number: 674-825-5
Nikkaji: J3.432.869B

性质

结构计算性质

XLogP: 2.4
极性表面积: 80.6 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 12
形式电荷: 0
复杂度: 174

物理化学性质

熔点: 80 °C · 80 °C
沸点: 279 ℃ · 279℃
密度: 1.219 · 1.219
闪点: 123 ℃ · 123℃
储存条件: Keep in dark place,Sealed in dry,Room Temperature
水溶解性: Soluble in water
酸度系数(pKa): 0.24 · 0.24±0.10(Predicted)
形态: powder to crystal
颜色: Light yellow to Yellow to Orange
BRN: 1366073 · 1366073
InChI: InChI=1S/C8H11NO2S/c1-3-11-8(10)6-5(2)4-12-7(6)9/h4H,3,9H2,1-2H3
InChIKey: ILYCZKOBLRJJSW-UHFFFAOYSA-N
SMILES: C1(N)SC=C(C)C=1C(OCC)=O
CAS 数据库: 43088 · 43088-42-2(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危害信息

Hazard Classes and CategoriesAcute Tox. 4 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (25%)；STOT SE 3 (50%)

安全数据

危险等级: IRRITANT
安全说明: 24/25
海关编码: 29349990

化学与工业

应用领域

应用2-氨基-4-甲基-噻吩-3-羧酸乙酯为酯类有机物，可用作医药中间体。

制备方法 · 1 条

生产方法通用方法：将环己酮（1.06 mL，10 mmol）、氰基乙酸乙酯（1.15 mL，10 mmol）、吗啉（0.90 mL，10 mmol）和硫粉（0.32 g，10 mmol）溶于乙醇（10 mL）中，搅拌并回流反应过夜。反应完成后，将混合物冷却至室温，减压蒸馏除去溶剂。所得粗产物用冷乙醇洗涤，经烧结漏斗过滤后，真空干燥。将干燥后的粗产物溶解于二氯甲烷中，用饱和食盐水洗涤。分离有机层，减压浓缩，得到目标化合物2-氨基-4-甲基噻吩-3-羧酸乙酯（2a），收率73%（1.83 g）。参考文献：[1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 13, p. 4418 - 4427[2] European Journal of Medicinal Chemistry, 2014, vol. 86, p. 270 - 278[3] Patent: CN107151251, 2017, A. Location in patent: Paragraph 0006; 0010[4] Organic and Biomolecular Chemistry, 2014, vol. 12, # 24, p. 4233 - 4242[5] Journal of Molecular Catalysis B: Enzymatic, 2013, vol. 95, p. 29 - 35

上下游产品信息

上游原料

乙酰乙酸叔丁酯硫磺乙醇吗啉氰乙酸乙酯二乙胺丙酮

下游产品

2-氨基-5-溴-4-甲基噻吩-3-羧酸乙酯 4-甲基噻吩-3-甲酸

试剂价格

A10790 · 5g: 2-氨基-4-甲基噻吩-3-羧酸乙酯, 98+%Ethyl 2-amino-4-methylthiophene-3-carboxylate, 98+% — 1742元
E1103 · 5g: 2-氨基-4-甲基噻吩-3-甲酸乙酯Ethyl 2-Amino-4-methylthiophene-3-carboxylate — 45元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

关联笔记

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2-氨基-4-甲基-噻吩-3-羧酸乙酯

基本信息