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【结 构 式】

【分子编号】11022

【品名】1-Methyl-3,3-diphenylurea; N'-Methyl-N,N-diphenylurea

【CA登记号】13114-72-2

【 分 子 式 】C14H14N2O

【 分 子 量 】226.27804

【元素组成】C 74.31% H 6.24% N 12.38% O 7.07%

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:(VI),(XI)

2) The condensation of N,N-diphenylcarbamoyl chloride (IV) with [13C]-labeled methylamine (V) gives the corresponding urea (VI), which by heating at 240 C is converted to the [13C]-labeled methyl isocyanate (VII). Finally, this compound is cyclized with the diazonium salt (VIII) (obtained by diazotation of 3-aminopyrazole-4-carbonitrile with NaNO2-HCl in the usual way) to afford temozolomide labeled at the methyl in the 3-position. 3) The preceding sequence performed with [15N]-labeled methylamine (X) gives urea (XI), isocyanate (XII) and finally temozolomide labeled at the N in the 3-position.

1 Wilman, D.E.V.; Thomson, W.; Wheelhouse, R.T.; Stevens, M.F.G.; Antitumour imidazotetrazines. 31. The synthesis of isotopically labelled temozolomide and a multinuclear (H-1, C-13, N-15) magnetic resonance investigation of temozolomide and mitozolomide. J Chem Soc - Perkins Trans I 1995, 3, 3, 249.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(VII),(XII) 11019 (Methylimino)(oxo)methane; methyl isocyanate C2H3NO 详情 详情
(V),(X) 11021 Methanamine; Methylamine 74-89-5 CH5N 详情 详情
(VI),(XI) 11022 1-Methyl-3,3-diphenylurea; N'-Methyl-N,N-diphenylurea 13114-72-2 C14H14N2O 详情 详情
(IV) 11020 N,N-Diphenylcarbamic chloride; Diphenylcarbamyl chloride 83-01-2 C13H10ClNO 详情 详情
(V) 45041 methylamine; methanamine CH5N 详情 详情
(VI) 45042 N'-methyl-N,N-diphenylurea C14H14N2O 详情 详情
(VII) 45043 (methylimino)(oxo)methane; methyl isocyanate C2H3NO 详情 详情
(VIII) 11016 1-[5-(Aminocarbonyl)-4-imidazolidinyl]diazonium C4H3N5O 详情 详情
(IX) 11015 5-Amino-1H-imidazole-4-carboxamide 360-97-4 C4H6N4O 详情 详情
(X) 45044 methylamine; methanamine CH5N 详情 详情
(XI) 45045 N'-methyl-N,N-diphenylurea C14H14N2O 详情 详情
(XII) 45046 methyl isocyanate; (methylimino)(oxo)methane C2H3NO 详情 详情
Extended Information