(2S)-4-(tert-butoxy)-2-[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]-4-oxobutyric acid -Drug Synthesis Database

【结构式】

【分子编号】30067

【品名】(2S)-4-(tert-butoxy)-2-[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]-4-oxobutyric acid

【CA登记号】

【分子式】C₁₈H₂₇NO₇S

【分子量】401.48092

【元素组成】C 53.85% H 6.78% N 3.49% O 27.9% S 7.99%

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：(XVIII)

Compound (XII) was protected as the tert-butyl carbamate (XIII) with Boc2O, and then coupled with piperidine using TBTU to give amide (XIV). The condensation of sulfonyl chloride (XVI) with L-aspartic mono tert-butyl ester (XVII) gave the N-sulfonylaspartate (XVIII). This was finally coupled with aminoamide (XV) by means of DCC and HOBt to yield the title compound.

参考文献中间体

合成目标

【1】 Jenneboer, A.J.s.M.; van Galen, P.J.M.; van Boeckel, C.A.A.; Rood, A.M.M.; Lucas, H.; Noach, A.B.J.; van Dinther, T.G.; Rewinkel, J.B.M.; 1-Aminoisoquinoline as benzamidine isostere in the design and synthesis of orally active thrombin inhibitors. Bioorg Med Chem Lett 1999, 9, 5, 685.
【2】 Van Galen, P.J.M.; Rewinkel, J.B.M.; Van Boeckel, C.A.A. (Akzo Nobel N.V.); Heterocyclic derivs. and their use as antithrombotic agents. EP 0975600; WO 9847876 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(XII)	30062	3-(1-amino-6-isoquinolinyl)alanine		C₁₂H₁₃N₃O₂	详情	详情
(XIII)	30063	3-(1-amino-6-isoquinolinyl)-N-(tert-butoxycarbonyl)alanine		C₁₇H₂₁N₃O₄	详情	详情
(XIV)	30064	tert-butyl 1-[(1-amino-6-isoquinolinyl)methyl]-2-oxo-2-(1-piperidinyl)ethylcarbamate		C₂₂H₃₀N₄O₃	详情	详情
(XV)	30065	2-amino-3-(1-amino-6-isoquinolinyl)-1-(1-piperidinyl)-1-propanone		C₁₇H₂₂N₄O	详情	详情
(XVI)	30066	4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride	80745-07-9	C₁₀H₁₃ClO₃S	详情	详情
(XVII)	26564	(2S)-2-amino-4-(tert-butoxy)-4-oxobutyric acid	3057-74-7	C₈H₁₅NO₄	详情	详情
(XVIII)	30067	(2S)-4-(tert-butoxy)-2-[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]-4-oxobutyric acid		C₁₈H₂₇NO₇S	详情	详情

Extended Information