CAS: 247583-78-4; 4-Amino-1-Methyl-5-Propyl-1H-Pyrazole-3-Carboxamide

该化合物是一个化学化合物,其特点是其配子环结构,这是一个五人组成的芳香环,内含两个氮原子.该化合物的外形是三处的碳boxamid功能组,一个在四处的氨基组,以及一个在一和五处的甲基和丙基替代组.这些替代组有助于其独特的化学特性和潜在的生物活动.氨boxamide组的存在表明,它可能从事氢联结,影响其溶性与再活性.该组的结构表明,由于存在能与生物目标相互作用的功能组,有可能在药用化学中,特别是在药物开发中应用.此外,亚基组的具体安排可能会影响其药理学特性,例如吸收,分布,新陈代谢和排泄.

英文名称4-Amino-1-Methyl-5-Propyl-1H-Pyrazole-3-Carboxamide
中文名称4-氨基-1-甲基-5-丙基-1H-吡唑-3-甲酰胺
IUPAC名称4-amino-1-methyl-5-propyl-1H-pyrazole-3-carboxamide
其它别名西地那非杂质 82; Sildenafil Impurity 16/4-Amino-1-Methyl-5-Propylpyrazole-3-Carboxamide
CAS编号247583-78-4
MFCD编号:MFCD04115073
分子式:C8H14N4O分子量:182.23
产品CID: 1198650
产品分类有机原料→分子砌块→芳杂环类化合物→吡唑类化合物

相似结构搜索
InChIKey: JTJPGTZETAVXAY-UHFFFAOYSA-N
InChI=1S/C8H14N4O/c1-3-4-5-6(9)7(8(10)13)11-12(5)2/h3-4,9H2,1-2H3,(H2,10,13)
计算化学: 氢键受体数4.0氢键供体数2.0可旋转键数3.0

相似化合物

139756-02-8 247584-10-7 268204-00-8

物理性质

沸点325.9±42.0 °C at 760 mmHg
密度1.32±0.1 g/cm3(预测)
pKa:15.60±0.50(预测)
PSA:86.93
LogP:0.0537
溶解性Hot Ethyl Acetate, Dimethyl Formamide, Dimethyl Sulfoxide, Methanol
外观形态米色固体
储存条件冰箱, 置于惰性气氛下
产品应用该化合物用作处理立体机能障碍的SILDENAFIL模拟器和虫[4,3-D] 丙酰胺酮CGMP PDE5抑制剂的中间体.

MSDS等安全信息

上下游产品

合成工艺路线路线简述

合成目标产物 4-Amino-1-Methyl-5-Propyl-1H-Pyrazole-3-Carboxylic Acid Amide 主要起始原料 1-Methyl-4-Nitro-5-Propyl-1H-Pyrazole-3-Carboxamide
(文献来源)合成步骤主要原料 1-Methyl-4-Nitro-5-Propyl-1H-Pyrazole-3-Carboxamide

📜1-甲基-5-丙基-1H-吡唑-3-甲酸置于盐酸,氯化亚砜,硫酸,水,硝酸,Tin(Ll) Chloride体系中,化学反应 3.0H,反应生成4-氨基-1-甲基-5-丙基-1H-吡唑-3-羧酸酰胺
参考文献:Synthesis And Properties Of Iso Viagra. A 2‐methyl‐2 H ‐pyrazolo[4,3‐ D ]Pyrirnidin‐7‐one Isomer Of Viagra ®
标题:Synthesis And Properties Of Iso Viagra. A 2‐methyl‐2 H ‐pyrazolo[4,3‐ D ]Pyrirnidin‐7‐one Isomer Of Viagra ®
摘要:Abstractthe Synthesis And Spectral Properties (Ir,Ms,NMR) Of A Substituted 2‐methyl‐2H‐pyrazolo[4,3‐d]‐pyrimidin‐7‐one (3),An Isomer Of Viagra®,Are Described. The Key Synthon,4‐amino‐1‐methyl‐5‐propyl‐3‐pyrazolecarboxamide (7),Is Prepared Via The Reaction Of Ethyl 2,4‐dioxoheptanoate With Methylhydrazine,Followed By Cyclization,Nitration,Amidation,And Nitro Group Reduction. Interaction Of 7 With 2‐ethoxyben‐zoyl Chloride Yielded The Respective Bis‐amide (8) Which Was Cyclized In Polyphosphoric Acid To The Corresponding Pyrazolo[4,3‐d]Pyrimidin‐7‐one Derivative 9. Chlorosulfonylation Of 9,And Subsequent Treatment With 1‐methylpiperazine Furnished Iso Viagra (3).
Doi:10.1002/jhet.5570390532