• English
  • 简体中文
Login Register
Current Location: Home > Feedback Help Print

【结 构 式】

【分子编号】67348

【品名】4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid

【CA登记号】641569-94-0

【 分 子 式 】C17H14N4O2

【 分 子 量 】306.32392

【元素组成】C 66.66% H 4.61% N 18.29% O 10.45%

与该中间体有关的原料药合成路线共 4 条

合成路线1

该中间体在本合成路线中的序号:(XII)

 

1 Abel S, Acemoglu M, Erb B, et al. 2008. Process for the synthesis of organic compounds. US 20080200692A1.
2 Wang YL. Li J, Kansal VK, et al. 2010. Nilotinib intermediates and preparation thereof. US 20100016590A1.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(X) 67346 (Z)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one   C10H12N2O 详情 详情
(I) 67340 3-fluoro-5-(trifluoromethyl)benzonitrile 149793-69-1 C8H3F4N 详情 详情
(II) 34070 5-methyl-1H-imidazole 822-36-6 C4H6N2 详情 详情
(III) 67341 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzonitrile   C12H8F3N3 详情 详情
(IV) 67342 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid   C12H9F3N2O2 详情 详情
(V) 67343 tert-butyl (3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)carbamate   C16H18F3N3O2 详情 详情
(VI) 67344 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 641571-11-1 C11H10F3N3 详情 详情
(VII) 38737 ethyl 4-amino-3-methylbenzoate 40800-65-5 C10H13NO2 详情 详情
(VIII) 67345 ethyl 3-guanidino-4-methylbenzoate   C11H15N3O2 详情 详情
(IX) 12027 1-(3-Pyridinyl)-1-ethanone; 1-(3-Pyridinyl)ethanone 350-03-8 C7H7NO 详情 详情
(XI) 67347 ethyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate 641569-97-3 C19H18N4O2 详情 详情
(XII) 67348 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid 641569-94-0 C17H14N4O2 详情 详情

合成路线2

该中间体在本合成路线中的序号:(VI)

 

1 Wang YL. Li J, Kansal VK, et al. 2010. Nilotinib intermediates and preparation thereof. WO 2010009402A9.
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) 38737 ethyl 4-amino-3-methylbenzoate 40800-65-5 C10H13NO2 详情 详情
(II) 67345 ethyl 3-guanidino-4-methylbenzoate   C11H15N3O2 详情 详情
(III) 12027 1-(3-Pyridinyl)-1-ethanone; 1-(3-Pyridinyl)ethanone 350-03-8 C7H7NO 详情 详情
(IV) 67346 (Z)-3-(dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one   C10H12N2O 详情 详情
(V) 67347 ethyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate 641569-97-3 C19H18N4O2 详情 详情
(VI) 67348 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid 641569-94-0 C17H14N4O2 详情 详情
(VII) 51493 3-Amino-5-bromobenzotrifluoride 54962-75-3 C7H5BrF3N 详情 详情
(VIII) 67349 N-(3-bromo-5-(trifluoromethyl)phenyl)-4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzamide   C24H17BrF3N5O 详情 详情
(IX) 34070 5-methyl-1H-imidazole 822-36-6 C4H6N2 详情 详情

合成路线3

该中间体在本合成路线中的序号:(II)

 

1 Mckenna J, Shieh WC. 2007. Process for the synthesis of organic compounds. WO 2006135641.
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) 67347 ethyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate 641569-97-3 C19H18N4O2 详情 详情
(II) 67348 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid 641569-94-0 C17H14N4O2 详情 详情
(III) 67344 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 641571-11-1 C11H10F3N3 详情 详情

合成路线4

该中间体在本合成路线中的序号:(X)

 

1 Huang WS, Shakespeare WC. 2007. An efficient synthesis of nilotinib (AMN107). Synthesis, 14: 2121~2124.
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(XI) 67344 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 641571-11-1 C11H10F3N3 详情 详情
(I) 67350 ethyl 4-amino-3-methylbenzoate   C10H13NO2 详情 详情
(II) 67345 ethyl 3-guanidino-4-methylbenzoate   C11H15N3O2 详情 详情
(III) 47516 (E)-3-(dimethylamino)-1-(3-pyridinyl)-2-propen-1-one 123367-26-0 C10H12N2O 详情 详情
(IV) 67347 ethyl 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoate 641569-97-3 C19H18N4O2 详情 详情
(V) 67340 3-fluoro-5-(trifluoromethyl)benzonitrile 149793-69-1 C8H3F4N 详情 详情
(VI) 34070 5-methyl-1H-imidazole 822-36-6 C4H6N2 详情 详情
(VII) 67341 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzonitrile   C12H8F3N3 详情 详情
(VIII) 67342 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid   C12H9F3N2O2 详情 详情
(IX) 67343 tert-butyl (3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)carbamate   C16H18F3N3O2 详情 详情
(X) 67348 4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid 641569-94-0 C17H14N4O2 详情 详情
Extended Information