5-氨基苯并呋喃甲酸乙酯 (HCID 9837138)

名称与标识

首选名称: Ethyl 5-aminobenzofuran-2-carboxylate
IUPAC: ethyl 5-amino-1-benzofuran-2-carboxylate
中文名: 5-氨基苯并呋喃甲酸乙酯
英文名: Ethyl 5-aminobenzofuran-2-carboxylate
分子式: C11H11NO3
分子量: 205.21

名称与别名

174775-48-5Ethyl 5-aminobenzofuran-2-carboxylate2-BENZOFURANCARBOXYLIC ACID, 5-AMINO-, ETHYL ESTERQNA7K2K6RXDTXSID60431558RefChem:138811DTXCID10382389Ethyl 5-Amino-1-benzofuran-2-carboxylateMFCD08275091Ethyl 5-aminobenzo[b]furan-2-carboxylateUNII-QNA7K2K6RX5-aminobenzofuran-2-carboxylic acid ethyl ester

展开更多名称

维拉唑酮中间体55-氨基苯并呋喃甲酸乙酯5-氨基苯并呋喃-2-甲酸乙酯5-氨基苯并呋喃-2-羧酸乙酯5-氨基苯并[B]呋喃-2-羧酸乙酯5-氨基-1-苯并呋喃-2-甲酸乙酯维拉佐酮中间体,5-氨基苯并呋喃甲酸乙酯5-氨基苯并呋喃甲酸乙酯(维拉唑酮中间体)盐酸维拉唑酮中间体/5-氨基苯并呋喃甲酸乙酯/维拉佐酮中间体,5-氨基苯并呋喃甲酸乙酯 25G5-Amino-2-(ethoxycarbonyl)-1-benzofuran, Ethyl 5-amino-1-benzofuran-2-carboxylateVilazodone INT 5ETHYL 5-AMINOBENZOFURAN-2-CARBOXYLAT5-Amino-2-(ethoxycarbonyl)-1-benzofura5-Amino-2-(ethoxycarbonyl)-1-benzofuranethyle5-aminobenzo[b]furan-2-carboxylateEthyl 5-amino-1-benzofuran-2-carboxylate (en)Ethyl-5-amino--1-benzofuran-2-carboxylate Hcl

CS-M1412CB-0818PB17511AC-258765-AMINO-BENZOFURAN-2-CARBOXYLIC ACID ETHYL ESTERethyl 5-aminobenzo[d]furan-2-carboxylate5-Aminobenzofuran-2-carboxylic acid ethyl ester; Ethyl 5-aminobenzofuran-2-carboxylate;ethyl-5-amino-1-benzofuran-2-carboxylate

数据库标识

CAS: 174775-48-5
PubChem CID: 9837138
DTXSID: DTXSID60431558
UNII: QNA7K2K6RX
EC Number: 808-229-5
Nikkaji: J3.482.617J

性质

结构计算性质

XLogP: 2.2
极性表面积: 65.5 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 244

物理化学性质

熔点: 54 · 54-56°C
沸点: 348.1 · 348.1±22.0 °C(Predicted)
密度: 1.258 · 1.258±0.06 g/cm3(Predicted)
储存条件: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
溶解度: soluble in Chloroform, DMSO
形态: Powder
酸度系数(pKa): 3.32 · 3.32±0.10(Predicted)
颜色: Beige

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesAcute Tox. 4 (50%)

安全数据

危险等级: IRRITANT
海关编码: 2932990090
危险品标志: Xi

化学与工业

制备方法 · 1 条

生产方法以5-硝基苯并呋喃-2-羧酸乙酯为原料合成5-氨基苯并呋喃-2-羧酸乙酯的一般步骤：将20.0 g 5-硝基苯并呋喃-2-羧酸乙酯置于反应烧瓶中，加入300 mL乙醇作为溶剂。随后，加入2 g 5% Pd/C催化剂。用氢气对反应体系进行两次置换，确保反应环境为氢气氛围。调节氢气压力至0.3-0.5 MPa，控制反应温度在10-30℃范围内，进行加氢反应3小时。反应完成后，通过过滤移除催化剂。滤液经减压浓缩，干燥后得到17.1 g 5-氨基苯并呋喃-2-羧酸乙酯，收率为98%。参考文献：[1] Patent: WO2013/153492, 2013, A2. Location in patent: Page/Page column 23[2] Patent: US2015/87835, 2015, A1. Location in patent: Paragraph 0125[3] ChemCatChem, 2014, vol. 6, # 11, p. 3153 - 3159[4] Patent: CN107674052, 2018, A. Location in patent: Paragraph 0035-0037[5] Patent: CN107540646, 2018, A. Location in patent: Paragraph 0041; 0042; 0043