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【结 构 式】

【分子编号】47332

【品名】methyl 1-benzyl-3-hydroxy-1H-pyrazole-5-carboxylate

【CA登记号】

【 分 子 式 】C12H12N2O3

【 分 子 量 】232.23896

【元素组成】C 62.06% H 5.21% N 12.06% O 20.67%

与该中间体有关的原料药合成路线共 1 条

合成路线1

该中间体在本合成路线中的序号:(I)

Condensation of 1-benzyl-3-hydroxy-1H-pyrazole-5-carboxylic acid methyl ester (I) with 3-(dimethylamino)-1-propanol (II) by means of 1,1'-(azodicarbonyl)dipiperidine and tributylphosphine under Mitsunobu conditions afforded the dimethylaminopropyl ether (III). After basic hydrolysis of the methyl ester group of (III), the resultant carboxylic acid (IV) was coupled with 4-methoxyaniline (V) using HATU to furnish the title amide.

1 Brummel, D.G.; Budworth, J.; Selwood, D.L.; et al.; Synthesis and biological evaluation of novel pyrazoles and indazoles as activators of the nitric oxide receptor, soluble guanylate cyclase. J Med Chem 2001, 44, 1, 78.
2 Glen, R.; Liu, Q.; Powell, K.; Reynolds, K.; Madge, D.; Kling, M.; Selwood, D.; Wishart, G. (University College London); Activators of soluble guanylate cyclase. WO 0027394 .
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(I) 47332 methyl 1-benzyl-3-hydroxy-1H-pyrazole-5-carboxylate C12H12N2O3 详情 详情
(II) 37173 3-(dimethylamino)-1-propanol 3179-63-3 C5H13NO 详情 详情
(III) 47333 methyl 1-benzyl-3-[3-(dimethylamino)propoxy]-1H-pyrazole-5-carboxylate C17H23N3O3 详情 详情
(IV) 47334 1-benzyl-3-[3-(dimethylamino)propoxy]-1H-pyrazole-5-carboxylic acid C16H21N3O3 详情 详情
(V) 10478 p-Anisidine; 4-Methoxyaniline; 4-Methoxyphenylamine 104-94-9 C7H9NO 详情 详情
Extended Information