144689-93-0
中文名稱
4-(1-羥基-1-甲基乙基)-2-丙基-1H-咪唑-5-羧酸乙酯
英文名稱
Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate
CAS
144689-93-0
分子式
C12H20N2O3
MDL 編號(hào)
MFCD07787565
分子量
240.3
MOL 文件
144689-93-0.mol
更新日期
2025/07/31 10:10:50
144689-93-0 結(jié)構(gòu)式
基本信息
中文別名
4-(1-羥基-1-甲基乙基)-2-丙基-1H-咪唑-5-羧酸乙酯2-丙基-4-(1-羥基-1-甲基乙基)咪唑-5-羧酸乙酯(醇酯)
5-(1-羥基-1-甲基乙基)-2-丙基-1H-咪唑-4-羧酸乙酯
英文別名
4-(1-HYDROXY-1-METHYLETHYL)-2-PROPYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTERETHYL-4-(1-HYDROXY-1-METHYLETHYL)-2-PROPYL-IMIDAZOLE-5-CARBOXYLATE
1H-Imidazole-4-carboxylic acid,5-(1-hydroxy-1-methylethyl)-2- propyl-,ethyl ester
1H-Imidazole-4-carboxylicacid,5-(1-hydroxy-1-met
1H-Imidazole-5-carboxylicacid,4-(1-hydroxy-1-met
Olmesartan intermediate
5-(1-HYDROXYL-1-METHYLETHYL)-2-PROPYL-IMIDAZOL-4-YLCARBOXYLIC ACID ETHYL ESTER
4-(1-HYDROXY-1-METHYLETHYL)-2-PROPYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER 98+%
1H-Imidazole-4-carboxylic acid, 5-(1-hydroxy-1-methylethyl)-2-propyl-, ethyl ester (9CI)
1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-, ethyl ester
5-(1-hydroxy-1-methylethyl)-2-propyl-,ethyl ester
4-(1-Hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylic acid ethyl ester
所屬類別
原料藥：抗高血壓病藥物理化學(xué)性質(zhì)
熔點(diǎn)98-100°C
沸點(diǎn)456.2±35.0 °C(Predicted)
密度1.131±0.06 g/cm3(Predicted)
儲(chǔ)存條件Sealed in dry,2-8°C
溶解度可溶于氯仿、乙酸乙酯、甲醇
酸度系數(shù)(pKa)11.61±0.10(Predicted)
形態(tài)固體
顏色淡黃色
InChIInChI=1S/C12H20N2O3/c1-5-7-8-13-9(11(15)17-6-2)10(14-8)12(3,4)16/h16H,5-7H2,1-4H3,(H,13,14)
InChIKeyKZBJJAFGNMRRHN-UHFFFAOYSA-N
SMILESC1(CCC)NC(C(OCC)=O)=C(C(O)(C)C)N=1
CAS 數(shù)據(jù)庫(kù)144689-93-0(CAS DataBase Reference)
制備方法
方法1
676-58-4
144689-94-1
144689-93-0
實(shí)施例-1: 制備4-(1-羥基-1-甲基乙基)-2-丙基-1H-咪唑-5-羧酸乙酯 在氮?dú)獗Ｗo(hù)下，向冷卻至-10至0℃的3M甲基氯化鎂(55.86g, 0.74mol)四氫呋喃溶液中，緩慢滴加2-丙基-4,5-咪唑二羧酸二乙酯(50g, 0.19mol)的四氫呋喃(200ml)溶液。保持反應(yīng)溫度在-5至0℃之間，持續(xù)攪拌10分鐘。反應(yīng)完成后，將反應(yīng)混合物緩慢倒入400ml 25%氯化銨水溶液中淬滅反應(yīng)。用乙酸乙酯(300ml)萃取反應(yīng)混合物，分離有機(jī)相。有機(jī)相依次用飽和食鹽水洗滌，無(wú)水硫酸鈉干燥，減壓濃縮得到漿狀物。通過(guò)二異丙醚結(jié)晶純化目標(biāo)產(chǎn)物。產(chǎn)率: 85-90%，HPLC純度: 88-93%。 1H-NMR(CDCl3) δ: 7.8-8.1(s, 1H), 5.8(s, 1H), 4.35(q, 2H), 2.68(t, 2H), 1.78(m, 2H), 1.61(s, 6H), 1.36(t, 3H), 0.96(t, 3H)。
參考文獻(xiàn)：
[1] Patent: EP1916246, 2008, A2. Location in patent: Page/Page column 5
[2] Patent: EP2298763, 2011, A1. Location in patent: Page/Page column 28