CAS 54060-30-9

3-ethynylaniline

Codes：ICOT-009

Application context (from source-drug indications)

非小细胞肺癌盐酸埃克替尼肺腺癌盐酸埃克替尼支气管肿瘤盐酸埃克替尼肺癌盐酸埃克替尼转移性乳腺癌盐酸埃克替尼银屑病盐酸埃克替尼

Source drugs (routes using this intermediate)

Drug	Tier	Expiry
盐酸埃克替尼Icotinib Hydrochloride	Tier C — Watch / trade	-

Position in synthesis routes (up/downstream chain)

Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.

盐酸埃克替尼优化路线steps: 7total yield: 27.1 g

2,2'-(ethane-1,2-diylbis(oxy))bis(ethan-1-ol)→(ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl) bis(4-methylbenzenesulfonate)→ethyl 3,4-dihydroxybenzoate→ethyl 2,3,5,6,8,9-hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecine-12-carboxylate→ethyl 13-nitro-2,3,5,6,8,9-hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecine-12-carboxylate→ethyl 13-amino-2,3,5,6,8,9-hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecine-12-carboxylate hydrochloride→7,8,10,11,13,14-hexahydro-[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4(3H)-one→4-chloro-7,8,10,11,13,14-hexahydro-[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazoline→3-ethynylaniline

盐酸埃克替尼优化路线steps: 6total yield: 760 mg

(ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl) bis(4-methylbenzenesulfonate)→3-ethynylaniline→3,4-dihydroxybenzonitrile→2,3,5,6,8,9-hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecine-12-carbonitrile→13-nitro-2,3,5,6,8,9-hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecine-12-carbonitrile→13-amino-2,3,5,6,8,9-hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecine-12-carbonitrile→(E)-N'-(13-cyano-2,3,5,6,8,9-hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecin-12-yl)-N,N-dimethylformimidamide

盐酸埃克替尼优化路线steps: 3total yield: /

3-ethynylaniline→(E)-3-(3-nitrophenyl)acrylic acid→(2S,3R)-2,3-dibromo-3-(3-nitrophenyl)propanoic acid→1-ethynyl-3-nitrobenzene

Intermediates available on this site

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Supplier	Product	Price band	MOQ	Lead time	Qualifications
Unibest Nantong cGMP Site	3-Ethynylaniline Pharmaceutical Intermediates	询价	询价	询价	—

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