4-乙氧基-3-(1-甲基-7-氧代-3-丙基-6,7-二氢-1H-吡唑并[4,3-d]嘧啶-5-基)苯磺酰氯 | 139756-22-2

物质功能分类

分析化学 - 对照品

分子结构分类

有机化合物 - 苯类化合物 - 苯和取代衍生物

中文名称

4-乙氧基-3-(1-甲基-7-氧代-3-丙基-6,7-二氢-1H-吡唑并[4,3-d]嘧啶-5-基)苯磺酰氯

中文别名

5-(5-氯磺酰基-2-乙氧基苯基)-1-甲基-3-丙基-1,6-二氢-7h-吡唑并[4,3-d]嘧啶-7-酮；西地那非氯代磺酰化物；3-(6,7-二氢-1-甲基-7-氧代-3-丙基-1H-吡唑O-(4-3-D)-嘧啶-5；1-甲基-3-丙基-5-(2-乙氧基-5-氯磺酰基)苯基-1,6-二氢-7H-吡唑并[4,3-d]嘧啶-7-酮

英文名称

4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride

英文别名

4-ethoxy-3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzene-1-sulfonyl chloride；4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H pyrazolo[4,3-d]pyrimidin-5yl)benzene-1-sulfonyl chloride；5-(2-ethoxy-5-chlorosulfonyl)-phenyl-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidine-7-one；5-(5-Chlorosulphonyl-2-ethoxyphenyl)-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one；5-(5-Chlorosulfonyl-2-ethoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one；4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride

4-乙氧基-3-(1-甲基-7-氧代-3-丙基-6,7-二氢-1H-吡唑并[4,3-d]嘧啶-5-基)苯磺酰氯化学式

CAS

139756-22-2

化学式

C₁₇H₁₉ClN₄O₄S

mdl

——

分子量

410.881

InChiKey

RVVOSOSBFSYZDM-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

180-182°C
密度：

1.48±0.1 g/cm3(Predicted)
溶解度：

氯仿（微溶）、甲醇（微溶、加热）

计算性质

辛醇/水分配系数(LogP)：

2.5
重原子数：

27
可旋转键数：

6
环数：

3.0
sp3杂化的碳原子比例：

0.35
拓扑面积：

111
氢给体数：

1
氢受体数：

6

安全信息

海关编码：

2933990090
包装等级：

II
危险类别：

8
危险性防范说明：

P280,P305+P351+P338,P310
危险品运输编号：

3261
危险性描述：

H314
储存条件：

温度：2-8℃，保存条件：惰性气体

SDS

SDS：65b13c9fd05a6ddccc82887a675e71a7

查看

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
3-(6,7-二氢-1-甲基-7-氧代-3-丙基-1H-吡唑并[4,3-d]嘧啶-5-基)-4-乙氧基苯磺酸	4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonic acid	1357931-55-5	C₁₇H₂₀N₄O₅S	392.436
5-(2-乙氧苯基)-1-甲基-3-丙基-1,6-二氢-7H-吡唑并[4,3-d]嘧啶-7-酮	5-(2-ethoxy)-phenyl-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidine-7-one	139756-21-1	C₁₇H₂₀N₄O₂	312.371
西地那非	viagra	139755-83-2	C₂₂H₃₀N₆O₄S	474.584

下游产品

中文名称	英文名称	CAS号	化学式	分子量
3-(6,7-二氢-1-甲基-7-氧代-3-丙基-1H-吡唑并[4,3-d]嘧啶-5-基)-4-乙氧基苯磺酸	4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonic acid	1357931-55-5	C₁₇H₂₀N₄O₅S	392.436
——	2-[2-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylamino]ethylamino]acetic acid	1007310-79-3	C₂₁H₂₈N₆O₆S	492.556
——	1-methyl-5-{2-ethoxy-5-[bis(2-hydroxyethyl)amidosulfonyl]phenyl}-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one	226956-43-0	C₂₁H₂₉N₅O₆S	479.557
——	N-desmethyl sildenafil	139755-82-1	C₂₁H₂₈N₆O₄S	460.557
——	N-(2-anilinoethyl)-4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide	1007310-81-7	C₂₅H₃₀N₆O₄S	510.617
蒙莫西地那非	homosildenafil	642928-07-2	C₂₃H₃₂N₆O₄S	488.611
——	hydroxyhomosildenafil	139755-85-4	C₂₃H₃₂N₆O₅S	504.61
——	4-ethoxy-N-[2-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-(2-hydroxyethyl)amino]ethyl]-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide	1023327-80-1	C₃₈H₄₈N₁₀O₉S₂	852.993
——	5-[2-ethoxy-5-(1,3-dimethylpropane-1,3-dione-2-ylsulfonyl)phenyl]-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one	876949-65-4	C₂₂H₂₆N₄O₆S	474.538
——	4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(naphthalen-1-ylamino)ethyl]benzenesulfonamide	1007310-78-2	C₂₉H₃₂N₆O₄S	560.677
——	5-[2-Ethoxy-5-(4-carbamoylpiperidinylsulphonyl)phenyl]-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one	——	C₂₃H₃₀N₆O₅S	502.594
——	4-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]-pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]butanehydroxamic acid	——	C₂₅H₃₅N₇O₆S	561.662
——	3-[1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]-pyrimidin-5-yl)phenyl]sulfonyl-4-piperidyl]propanehydroxamic acid	——	C₂₅H₃₄N₆O₆S	546.648
——	2-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-[2-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylamino]ethyl]amino]acetic acid	1023327-79-8	C₃₈H₄₆N₁₀O₁₀S₂	866.976
——	5-[2-ethoxy-5-(4-methyl-1-homopiperazinylsulfonyl)]-phenyl-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo [4,3-d]pyrimidine-7-one	1257393-31-9	C₂₃H₃₂N₆O₄S	488.611
——	5-[2-ethoxy-5-(3,4,5-trimethylpiperazinyl)sulfonylphenyl]-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one	1258305-26-8	C₂₄H₃₄N₆O₄S	502.638
——	5-(2-Ethoxy-5-((4-phenylpiperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one	1007310-62-4	C₂₇H₃₂N₆O₄S	536.655
——	5-[5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one	1007310-73-7	C₂₇H₃₁ClN₆O₄S	571.1
——	5-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one	1007310-76-0	C₂₇H₃₁ClN₆O₄S	571.1
——	4-(4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenylsulfonyl)-1-methyl-1,4-diazepane 1-oxide	1352238-28-8	C₂₃H₃₂N₆O₅S	504.61
——	5-[5-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one	1007310-75-9	C₂₇H₃₁ClN₆O₄S	571.1
——	5-[2-ethoxy-5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one	1007310-66-8	C₂₇H₃₁N₇O₆S	581.652
——	5-[2-ethoxy-5-(4-naphthalen-1-ylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one	1007310-60-2	C₃₁H₃₄N₆O₄S	586.715
——	5-[2-ethoxy-5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one	1007310-67-9	C₂₇H₃₁FN₆O₄S	554.645
——	5-[2-ethoxy-5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one	1007310-64-6	C₂₈H₃₄N₆O₄S	550.682
——	5-(2-ethoxy-5-((4-(2-methoxyphenyl)piperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one	1007310-58-8	C₂₈H₃₄N₆O₅S	566.681
西地那非	viagra	139755-83-2	C₂₂H₃₀N₆O₄S	474.584

反应信息

作为反应物：

描述：

4-乙氧基-3-(1-甲基-7-氧代-3-丙基-6,7-二氢-1H-吡唑并[4,3-d]嘧啶-5-基)苯磺酰氯在甲酸、三乙胺作用下，以乙醇为溶剂，反应 13.0h，