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【结 构 式】

【分子编号】41318

【品名】2,4,6-trimethyl-3-nitrophenyl acetate

【CA登记号】

【 分 子 式 】C11H13NO4

【 分 子 量 】223.22856

【元素组成】C 59.19% H 5.87% N 6.27% O 28.67%

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:(III)

Protection of 2,4,6-trimethylphenol (I) as the acetate ester (II), followed by nitration with HNO3/H2SO4 provided nitrophenol acetate (III). This was reduced to the corresponding aniline (IV) employing either Zn/NH4Cl or Fe/HOAc.

1 Decker, E.R.; Blok, N.; Wu, C.; et al.; Endothelin antagonists: Substituted mesitylcarboxamides with high potency and selectivity for ETA receptors. J Med Chem 1999, 42, 22, 4485.
2 Blok, N.; Keller, K.; Wu, C.; Kogan, T.; Woodard, P. (Texas Biotechnology Corp.); Sulfonamides for treatment of endothelin-mediated disorders. EP 0980369; US 5783705; WO 9849162 .
3 Woodard, P.; Kogan, T.P.; Raju, B.G.; Wu, C.; Blok, N. (Texas Biotechnology Corp.); Sulfonamides and derivs. thereof that modulate the activity of endothelin. JP 2000507607; WO 9813366 .
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) 41316 2,4,6-trimethylphenol 527-60-6 C9H12O 详情 详情
(II) 41317 mesityl acetate C11H14O2 详情 详情
(III) 41318 2,4,6-trimethyl-3-nitrophenyl acetate C11H13NO4 详情 详情
(IV) 41319 3-amino-2,4,6-trimethylphenyl acetate C11H15NO2 详情 详情
Extended Information