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【结 构 式】

【分子编号】66703

【品名】2-(chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole

【CA登记号】723286-98-4

【 分 子 式 】C4H2ClF3N2O

【 分 子 量 】186.521

【元素组成】C 25.76% H 1.08% Cl 19.01% F 30.56% N 15.02% O 8.58%

与该中间体有关的原料药合成路线共 2 条

合成路线1

该中间体在本合成路线中的序号:(III)

 

1 Wenslow RM, Armstrong JD, Chen AM, et al. 2005. Novel crystal forms of a dihydrogen phosphate salt of a trizolopyrazine dipeptidyl peptidase IV inhibitor. W0 2005020920
2 Xiao Y, Armstrong JD, Krska SW, et aL. 2004. Process for the preparation of chiral β-amino acid derivatives by asymmetric hydrogenation of enamino esters and amides using trasition-metal complexed chiral ferrocenyldiphasphines. W0 2004085378
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) 27344 hydrazine 302-01-2 H4N2 详情 详情
(II) 66702 N'-(2-chloroacetyl)-2,2,2-trifluoroacetohydrazide   C4H4ClF3N2O2 详情 详情
(III) 66703 2-(chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole 723286-98-4 C4H2ClF3N2O 详情 详情
(IV) 66704 (Z)-2,2,2-trifluoro-N'-(piperazin-2-ylidene)acetohydrazide 763105-70-0 C6H9F3N4O 详情 详情
(V) 66705 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride 486460-21-3 C6H7F3N4.HCl 详情 详情
(VI) 66706 2-(2,4,5-trifluorophenyl)acetic acid 209995-38-0 C8H5F3O2 详情 详情
(VII) 14738 Meldrum's acid; 2,2-dimethyl-1,3-dioxane-4,6-dione;Malonic acid cyclic isopropylidene ester 2033-24-1 C6H8O4 详情 详情
(VIII) 66707 5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione   C14H11F3O5 详情 详情
(IX) 66708 1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione 764667-65-4 C16H12F6N4O2 详情 详情
(X) 66709 (Z)-3-amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)but-2-en-1-one 767340-03-4 C16H13F6N5O 详情 详情

合成路线2

该中间体在本合成路线中的序号:(III)

 

1 Dreher SD. Ikemoto N, Njolito E et aL. 2004. Process for preparation of chiral β-anuno acid derivatives. W0 2004085661
中间体序号 中间体编号 品名 CAS号 分子式 供应商 用于合成
(VI) 66706 2-(2,4,5-trifluorophenyl)acetic acid 209995-38-0 C8H5F3O2 详情 详情
(I) 27344 hydrazine 302-01-2 H4N2 详情 详情
(II) 66702 N'-(2-chloroacetyl)-2,2,2-trifluoroacetohydrazide   C4H4ClF3N2O2 详情 详情
(III) 66703 2-(chloromethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole 723286-98-4 C4H2ClF3N2O 详情 详情
(IV) 66704 (Z)-2,2,2-trifluoro-N'-(piperazin-2-ylidene)acetohydrazide 763105-70-0 C6H9F3N4O 详情 详情
(V) 66705 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride 486460-21-3 C6H7F3N4.HCl 详情 详情
(VII) 14738 Meldrum's acid; 2,2-dimethyl-1,3-dioxane-4,6-dione;Malonic acid cyclic isopropylidene ester 2033-24-1 C6H8O4 详情 详情
(VIII) 66707 5-(1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione   C14H11F3O5 详情 详情
(IX) 66708 1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione 764667-65-4 C16H12F6N4O2 详情 详情
(X) 66710 (R)-2-amino-2-phenylacetamide   C8H10N2O 详情 详情
(XI) 66711 (R,Z)-2-((4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)but-2-en-2-yl)amino)-2-phenylacetamide   C24H20F6N6O2 详情 详情
(XII) 66712 (2R)-2-((4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl)amino)-2-phenylacetamide   C24H22F6N6O2 详情 详情
Extended Information