4,4-dimethyl-2-pentyne -Drug Synthesis Database

【结构式】

【分子编号】30538

【品名】4,4-dimethyl-2-pentyne

【CA登记号】999-78-0

【分子式】C₇H₁₂

【分子量】96.17228

【元素组成】C 87.42% H 12.58%

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：(VIII)

The condensation of propenal (VII) with tert-butylacetylene (VIII) by means of butyllithium gives 6,6-dimethylhept-1-en-4-yn-3-ol (IX), which is rearranged with HBr to the allyl isomer 6,6-dimethylhept-2-en-4-yn-1-yl bromide (X). Finally, this compound is condensed with amine (IV) by means of Na2CO3 in DMF.

参考文献中间体

合成目标

【1】 Stutz, A.; SF-86327 and related compounds: Synthetic methods. Int Con Chemother 1983, 116, 5-8.
【2】 Stutz, A. (Novartis AG); Propenylamines, pharmaceutical compositions containing them and their use as pharmaceuticals. EP 0024587; JP 56032440; JP 63313753; Us 4755534 .
【3】 Serradell, M.N.; Castaner, J.; SF-86327. Drugs Fut 1984, 9, 6, 425.

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(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
(VII)	17668	acrylaldehyde; Acrolein	107-02-8	C₃H₄O	详情	详情
(VIII)	30538	4,4-dimethyl-2-pentyne	999-78-0	C₇H₁₂	详情	详情
(IX)	30539	6,6-dimethyl-1-hepten-4-yn-3-ol		C₉H₁₄O	详情	详情
(X)	30540	(E)-1-bromo-5,5-dimethyl-1-hexen-3-yne		C₈H₁₁Br	详情	详情

Extended Information