2-甲基-8-(苄氧基)咪唑并[1,2-a]吡啶-3-甲酸乙酯 | 96428-50-1
中文名称:
2-甲基-8-(苄氧基)咪唑并[1,2-a]吡啶-3-甲酸乙酯
英文名称:
Ethyl 8-(benzyloxy)-2-methylimidazo[1,2-A]pyridine-3-carboxylate
CAS No.:
96428-50-1
分子式:
C1 8 H1 8 N2 O3
分子量:
310.347124576569
名称和标识符
MDL
MFCD06739215
InChIKey
RLYGWMBGMXQDQC-UHFFFAOYSA-N
Inchi
1S/C18H18N2O3/c1-3-22-18(21)16-13(2)19-17-15(10-7-11-20(16)17)23-12-14-8-5-4-6-9-14/h4-11H,3,12H2,1-2H3
SMILES
O=C(C1N2C(C(=CC=C2)OCC2C=CC=CC=2)=NC=1C)OCC
别名信息
- 中文别名 -
8-苄氧基-2-甲基咪唑[1,2-a ]并吡啶-3-甲酸乙酯
8-苄氧基-2-甲基-咪唑并[1,2-a]吡啶-3-羧酸乙酯
2-甲基-8-(苄氧基)咪唑并[1,2-a]吡啶-3-甲酸乙酯
2-甲基-8-(苯基甲氧基)咪唑并[1,2-a]吡啶-3-羧酸乙酯
- 英文别名 -
Imidazo[1,2-a]pyridine-3-carboxylicacid, 2-methyl-8-(phenylmethoxy)-, ethyl ester
8-BENZYLOXY-2-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
ethyl 2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine-3-carboxylate
Ethyl8-(benzyloxy)-2-methylH-imidazo[1,2-a]pyridine-3-carboxylate
2-carboethoxy-3-methyl-8-(phenylmethoxy)imidazo[1,2-a]pyridine
8-benzyloxy-3-ethoxycarbonyl-2-methylimidazo[1,2-a]pyridine
Ethyl 8-(Benzyloxy)-2-methylimidazo[1,2-a]pyridine-3-carboxylate
AK154698
2-carboethoxy-3-methyl-8-(phenylmethoxy)imidazo<1,2-a>pyridine
AMPD00141
RLYGWMBGMXQDQC-UHFFFAOYSA-N
4117AJ
TRA0059597
AM85989
AB28885
SY030034
AX8026678
AB0
Ethyl 2-methyl-8-(phenylmethoxy)imidazo[1,2-a]pyridine-3-carboxylate (ACI)
物化性质
实验特性
LogP
3.39840
PSA
52.83000
溶解度
几乎不溶 (0.043 g/L) (25 ºC),
密度
1.18±0.1 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量
310.13200
氢键供体数量
0
氢键受体数量
4
可旋转化学键数量
6
同位素质量
310.132
重原子数量
23
复杂度
398
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
拓扑分子极性表面积
52.8
海关数据
海关编码
2933990090
海关数据
中国海关编码:
2933990090
概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
合成路线
合成路线:1 步
1.1
Solvents:
Ethanol
;
2 d, rt → reflux
参考文献:
Preparation of cyano-substituted imidazo[1,2-a]pyridinecarboxamides and their use
,
World Intellectual Property Organization ,
,
,
合成路线:1 步
1.1
Solvents:
Ethanol
;
2 d, 100 °C
参考文献:
Amino-substituted imidazo[1,2-a]pyridinecarboxamides as soluble guanylate cyclase inhibitors and their preparation
,
World Intellectual Property Organization ,
,
,
合成路线:1 步
参考文献:
Preparation of imidazopyridine compounds as sGC activators
,
World Intellectual Property Organization ,
,
,
合成路线:1 步
1.1
Solvents:
Ethanol
;
2 d, rt → reflux
参考文献:
Preparation of substituted imidazo[1,2-a]pyridinecarboxamides and their use
,
World Intellectual Property Organization ,
,
,
合成路线:1 步
参考文献:
Antiulcer agents. 1. Gastric antisecretory and cytoprotective properties of substituted imidazo[1,2-a]pyridines
Kaminski, James J.;
Bristol, James A.;
Puchalski, Chester;
Lovey, Raymond G.;
Elliott, Arthur J.; et al ,
Journal of Medicinal Chemistry ,
1985 ,
28(7) ,
876-92
合成路线:1 步
1.1
Solvents:
Ethanol
;
2 d, reflux
参考文献:
Preparation of 3-(pyrimidin-2-yl)imidazo[1,2-a]pyridines as cardiovascular agents
,
World Intellectual Property Organization ,
,
,
合成路线:1 步
1.1
Solvents:
Ethanol
;
2 d, 100 °C
参考文献:
Preparation of hydroxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use as soluble guanylate cyclase stimulants
,
World Intellectual Property Organization ,
,
,
合成路线:1 步
参考文献:
Imidazopyridine compounds as soluble guanylate cyclase activators and their preparation
,
United States ,
,
,