1-naphthoic acid -Drug Synthesis Database

【结构式】

【分子编号】44581

【品名】1-naphthoic acid

【CA登记号】

【分子式】C₁₁H₈O₂

【分子量】172.18332

【元素组成】C 76.73% H 4.68% O 18.58%

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：(II)

1) The Grignard reaction of 1-bromonaphthalene (I) with Mg in THF and then with [14C]-labeled CO2 gives the corresponding 1-naphthoic acid (II), which by reaction with SO2Cl2 and then with methylamine yields [14C]-N-methyl-1-naphthalenecarboxamide (III). The reduction of (III) with LiAlH4 in refluxing THF affords the corresponding amine (IV). Finally, this compound is condensed with 1-bromo-6,6-dimethylhept-2-en-4-yne (V) by means of Na2CO3 in DMF, and treated with ethanolic HCl.

参考文献中间体

合成目标

【1】 Andres, H.; Carbon-14 labelling of terbinafine, an antimycotic agent. J Label Compd Radiopharm 1989, 27, 11, 1307.

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)	10105	1-Bromonaphthalene	90-11-9	C₁₀H₇Br	详情	详情
(II)	10106	1-Naphthoic acid	86-55-5	C₁₁H₈O₂	详情	详情
(II)	44581	1-naphthoic acid		C₁₁H₈O₂	详情	详情
(III)	10107	N-Methyl-1-naphthamide	3400-33-7	C₁₂H₁₁NO	详情	详情
(III)	44582	N-methyl-1-naphthamide		C₁₂H₁₁NO	详情	详情
(IV)	10108	N-Methyl(1-naphthyl)methanamine; N-Methyl-N-(1-naphthylmethyl)amine; 1-Methyl-1-naphthalenemethylamine	65473-13-4	C₁₂H₁₃N	详情	详情
(IV)	44583	N-methyl(1-naphthyl)methanamine; N-methyl-N-(1-naphthylmethyl)amine		C₁₂H₁₃N	详情	详情
(V)	10109	(E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne	78629-21-7	C₉H₁₃Br	详情	详情

Extended Information