1-(5-苄氧基-7-溴-1,3-苯并噻唑-2-基)-3-乙基-脲 | 1000289-67-7

分子结构分类

有机化合物 - 有机杂环化合物 - 苯并噻唑类

中文名称

1-(5-苄氧基-7-溴-1,3-苯并噻唑-2-基)-3-乙基-脲

中文别名

——

英文名称

1-(5-benzyloxy-7-bromo-1,3-benzothiazol-2-yl)-3-ethyl-urea

英文别名

1-(5-benzyloxy-7-bromobenzothiazol-2-yl)-3-ethylurea；1-(5-Benzyloxy-7-bromo-benzothiazol-2-yl)-3-ethyl-urea；1-(7-bromo-5-phenylmethoxy-1,3-benzothiazol-2-yl)-3-ethylurea

CAS

1000289-67-7

化学式

C₁₇H₁₆BrN₃O₂S

mdl

——

分子量

406.303

InChiKey

MADXBQCAYGZHGN-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.2
重原子数：

24
可旋转键数：

5
环数：

3.0
sp3杂化的碳原子比例：

0.18
拓扑面积：

91.5
氢给体数：

2
氢受体数：

4

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
5-苄氧基-7-溴-1,3-苯并噻唑-2-胺	5-benzyloxy-7-bromo-1,3-benzothiazol-2-amine	1000289-66-6	C₁₄H₁₁BrN₂OS	335.224

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	1-(5-(benzyloxy)-7-cyanobenzo[d]thiazol-2-yl)-3-ethylurea	1372548-11-2	C₁₈H₁₆N₄O₂S	352.417
——	1-(5-(benzyloxy)-7-formylbenzo[d]thiazol-2-yl)-3-ethylurea	1372548-48-5	C₁₈H₁₇N₃O₃S	355.417
——	(E)-1-(5-(benzyloxy)-7-((methoxyimino)methyl)benzo[d]thiazol-2-yl)-3-ethylurea	1372548-49-6	C₁₉H₂₀N₄O₃S	384.459
——	1-(7-acetyl-5-benzyloxy-1,3-benzothiazol-2-yl)-3-ethyl-urea	1372548-66-7	C₁₉H₁₉N₃O₃S	369.444
——	1-[5-benzyloxy-7-[(E)-N-methoxy-C-methyl-carbonimidoyl]-1,3-benzothiazol-2-yl]-3-ethyl-urea	1372548-67-8	C₂₀H₂₂N₄O₃S	398.486
——	1-(5-(benzyloxy)-7-propionylbenzo[d]thiazol-2-yl)-3-ethylurea	1372548-12-3	C₂₀H₂₁N₃O₃S	383.471
——	1-[5-benzyloxy-7-(1-ethoxyvinyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea	1372548-65-6	C₂₁H₂₃N₃O₃S	397.498
——	1-[5-benzyloxy-7-(2-pyridyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea	1372548-00-9	C₂₂H₂₀N₄O₂S	404.492
1-[5-苄氧基-7-(4-甲基吡啶-2-基)-苯并噻唑-2-基]-3-乙基脲	1-[5-benzyloxy-7-(4-methylpyridin-2-yl)-benzothiazol-2-yl]-3-ethylurea	1000289-68-8	C₂₃H₂₂N₄O₂S	418.519
1-[5-苄氧基-7-(5-氰基吡啶-2-基)苯并噻唑-2-基]-3-乙基脲	1-[5-benzyloxy-7-(5-cyanopyridin-2-yl)benzothiazol-2-yl]-3-ethylurea	1000289-71-3	C₂₃H₁₉N₅O₂S	429.502
——	(E)-1-ethyl-3-(5-hydroxy-7-((methoxyimino)methyl)benzo[d]thiazol-2-yl)urea	1372548-50-9	C₁₂H₁₄N₄O₃S	294.334
——	1-[5-benzyloxy-7-[4-(morpholinomethyl)-2-pyridyl]-1,3-benzothiazol-2-yl]-3-ethyl-urea	1459773-17-1	C₂₇H₂₉N₅O₃S	503.625
——	1-ethyl-3-[5-hydroxy-7-[(E)-N-methoxy-C-methyl-carbonimidoyl]-1,3-benzothiazol-2-yl]urea	1372548-68-9	C₁₃H₁₆N₄O₃S	308.361
——	1-ethyl-3-(5-hydroxy-7-propionylbenzo[d]thiazol-2-yl)urea	1372548-13-4	C₁₃H₁₅N₃O₃S	293.346
——	1-ethyl-3-[5-hydroxy-7-(2-pyridyl)-1,3-benzothiazol-2-yl]urea	1372548-01-0	C₁₅H₁₄N₄O₂S	314.368
——	(E)-2-(3-ethylureido)-7-((methoxyimino)methyl)benzo[d]thiazol-5-yl trifluoromethanesulfonate	1372548-51-0	C₁₃H₁₃F₃N₄O₅S₂	426.397
1-乙基-3-[5-羟基-7-(4-甲基吡啶-2-基)苯并噻唑-2-基]脲	1-ethyl-3-[5-hydroxy-7-(4-methylpyridin-2-yl)benzothiazol-2-yl]urea	1000289-69-9	C₁₆H₁₆N₄O₂S	328.395
——	1-[7-(5-cyanopyridin-2-yl)-5-hydroxybenzothiazol-2-yl]-3-ethylurea	1000289-72-4	C₁₆H₁₃N₅O₂S	339.378
——	[2-(ethylcarbamoylamino)-7-[(E)-N-methoxy-C-methyl-carbonimidoyl]-1,3-benzothiazol-5-yl]trifluoromethanesulfonate	1372548-69-0	C₁₄H₁₅F₃N₄O₅S₂	440.424
——	2-(3-ethylureido)-7-propionylbenzo[d]thiazol-5-yl trifluoromethanesulfonate	1372547-96-0	C₁₄H₁₄F₃N₃O₅S₂	425.409
——	[2-(ethylcarbamoylamino)-7-(2-pyridyl)-1,3-benzothiazol-5-yl]trifluoromethanesulfonate	1372548-02-1	C₁₆H₁₃F₃N₄O₄S₂	446.431
——	trifluoromethanesulfonic acid 2-(3-ethylureido)-7-(4-methylpyridin-2-yl)benzothiazol-5-yl ester	1000289-70-2	C₁₇H₁₅F₃N₄O₄S₂	460.458
——	trifluoromethanesulfonic acid 7-(5-cyanopyridin-2-yl)-2-(3-ethylureido)benzothiazol-5-yl ester	1000289-73-5	C₁₇H₁₂F₃N₅O₄S₂	471.441
——	[2-(2-hydroxyethylcarbamoylamino)-7-(2-pyridyl)-1,3-benzothiazol-5-yl]trifluoromethanesulfonate	1459772-85-0	C₁₆H₁₃F₃N₄O₅S₂	462.43
——	1-[7-(5-cyanopyridin-2-yl)-5-pyridin-3-yl-benzothiazol-2-yl]-3-ethylurea	——	C₂₁H₁₆N₆OS	400.464
——	1-ethyl-3-[7-(4-methylpyridin-2-yl)-5-pyridin-3-yl-benzothiazol-2-yl]urea	——	C₂₁H₁₉N₅OS	389.481
——	(E)-1-(5-(2-(3-ethylureido)-7-((methoxyimino)methyl)benzo[d]thiazol-5-yl)pyrimidin-2-yl)-4-methylpiperidine-4-carboxylic acid	1372545-61-3	C₂₃H₂₇N₇O₄S	497.578
——	1-ethyl-3-[5-[5-(1-hydroxyethyl)pyrazin-2-yl]-7-(2-pyridyl)-1,3-benzothiazol-2-yl]urea	1459768-40-1	C₂₁H₂₀N₆O₂S	420.495
——	1-[5-(2-chloropyrimidin-5-yl)-7-(2-pyridyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea	1372547-92-6	C₁₉H₁₅ClN₆OS	410.887
——	1-[5-(5-acetylpyrazin-2-yl)-7-(2-pyridyl)-1,3-benzothiazol-2-yl]-3-ethyl-urea	1459772-87-2	C₂₁H₁₈N₆O₂S	418.479
——	1-ethyl-3-[5-[2-[(E)-prop-1-enyl]pyrimidin-5-yl]-7-(2-pyridyl)-1,3-benzothiazol-2-yl]urea	1459772-94-1	C₂₂H₂₀N₆OS	416.506
——	1-(5-(6-bromopyridazin-4-yl)-7-(pyridin-2-yl)benzo[d]thiazol-2-yl)-3-ethylurea	1372547-94-8	C₁₉H₁₅BrN₆OS	455.338
——	4-ethyl-1-[5-[2-(ethylcarbamoylamino)-7-[(E)-N-methoxy-C-methyl-carbonimidoyl]-1,3-benzothiazol-5-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid	1372546-22-9	C₂₅H₃₁N₇O₄S	525.632

反应信息

作为反应物：

描述：

1-(5-苄氧基-7-溴-1,3-苯并噻唑-2-基)-3-乙基-脲在四(三苯基膦)钯、甲烷磺酸作用下，以二氯甲烷、 N,N-二甲基甲酰胺为溶剂，反应 3.0h，生成