2,4,6-trimethyl-3-nitrophenyl acetate -Drug Synthesis Database

【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.

参考文献中间体

合成目标

【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