4-methylbenzenesulfonic acid -Drug Synthesis Database

【结构式】

【分子编号】67228

【品名】4-methylbenzenesulfonic acid

【CA登记号】104-15-4

【分子式】C₇H₈O₃S

【分子量】172.20472

【元素组成】C 48.82% H 4.68% O 27.87% S 18.62%

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：(XXV)

参考文献中间体

合成目标

【1】 Tung R. 2008. Preparation of 4-aminoquinazolines as EGFR and HER-2 inhibitors. PCT Int Appl WO 2008024439(Concert Pharmaceuticals Inc, USA).

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)	31326	5-bromo-2-furoic acid	585-70-6	C₅H₃BrO₃	详情	详情
(II)	67215	N,O-dimethylhydroxylamine hydrochloride		C₂H₈NO.HCl	详情	详情
(III)	67216	5-bromo-N-methoxy-N-methylfuran-2-carboxamide		C₇H₈BrNO₃	详情	详情
(IV)	52428	Bis(tributyltin); Hexabutyldistannane; Bis(tri-n-butyltin); Hexa-n-butylditin; Hexa-n-butyldistannane	813-19-4	C₂₄H₅₄Sn₂	详情	详情
(V)	67217	N-methoxy-N-methyl-5-(tributylstannyl)furan-2-carboxamide		C₁₉H₃₅NO₃Sn	详情	详情
(VI)	19964	5-Iodoanthranilic acid; 2-amino-5-iodobenzoic acid	5326-47-6	C₇H₆INO₂	详情	详情
(VII)	16598	Formamide	75-12-7	CH₃NO	详情	详情
(VIII)	67218	6-iodoquinazolin-4(1H)-one	16064-08-7	C₈H₅IN₂O	详情	详情
(IX)	49875	4-chloro-6-iodoquinazoline	98556-31-1	C₈H₄ClIN₂	详情	详情
(X)	67219			C₁₀H₉N.K	详情	详情
(XI)	67220	2-(2-bromoethyl)isoindoline-1,3-dione		C₁₂H₄D₄BrNO₂	详情	详情
(XII)	67221	iodomethane		CD₃I	详情	详情
(XIII)	67222	2-(2-(methylthio)ethyl)isoindoline-1,3-dione		C₁₁H₄D₇NO₂S	详情	详情
(XIV)	13214	Di-tert-butyldicarbonate; Dicarbonic acid bis(1,1-dimethylethyl) ester; dicarbonic acid di-tert-butyl ester pyrocarbonic acid di-tert-butyl ester; bis(1,1-dimethylethyl) dicarbonate di-tert-butyl pyrocarbonate	24424-99-5	C₁₀H₁₈O₅	详情	详情
(XV)	67223	tert-butyl (2-(methylsulfonyl)ethyl)carbamate		C₈H₁₀D₇NO₄S	详情	详情
(XVI)	67224	2-(methylsulfonyl)ethanamine hydrochloride		C₃H₂D₇NO₂S.HCl	详情	详情
(XVII)	49872	1-Chloro-2-Hydroxy-5-Nitrobenzene; 2-Chloro-4-nitrophenol; 4-Nitro-2-chlorophenol; p-Nitro-o-chlorophenol	619-08-9	C₆H₄ClNO₃	详情	详情
(XVIII)	17221	3-Fluorobenzyl bromide; 1-(bromomethyl)-3-fluorobenzene	456-41-7	C₇H₆BrF	详情	详情
(XIX)	49873	2-chloro-1-[(3-fluorobenzyl)oxy]-4-nitrobenzene; 2-chloro-4-nitrophenyl 3-fluorobenzyl ether		C₁₃H₉ClFNO₃	详情	详情
(XX)	49874	3-chloro-4-[(3-fluorobenzyl)oxy]phenylamine; 3-chloro-4-[(3-fluorobenzyl)oxy]aniline		C₁₃H₁₁ClFNO	详情	详情
(XXI)	49876	N-[3-chloro-4-[(3-fluorobenzyl)oxy]phenyl]-N-(6-iodo-4-quinazolinyl)amine; N-[3-chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-iodo-4-quinazolinamine		C₂₁H₁₄ClFIN₃O	详情	详情
(XXII)	67225	5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)-N-methoxy-N-methyltetrahydrofuran-2-carboxamide		C₂₈H₂₆ClFN₄O₄	详情	详情
(XXIII)	67226	5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)tetrahydrofuran-2-carbaldehyde		C₂₆H₂₀DClFN₃O₃	详情	详情
(XXIV)	67227	tert-butyl ((5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)tetrahydrofuran-2-yl)methyl)(2-(methylsulfonyl)ethyl)carbamate		C₃₄H₂₇D₉ClFN₄O₆S	详情	详情
(XXV)	67228	4-methylbenzenesulfonic acid	104-15-4	C₇H₈O₃S	详情	详情

Extended Information