(1R)-9-(2-aminoethoxy)-1-heptyl-9-oxo-6-[(3-oxotetradecanoyl)amino]-4,8,10-trioxa-9lambda(5)-phospha-12-tridecen-1-yl (Z)-5-dodecenoate -Drug Synthesis Database

【结构式】

【分子编号】49132

【品名】(1R)-9-(2-aminoethoxy)-1-heptyl-9-oxo-6-[(3-oxotetradecanoyl)amino]-4,8,10-trioxa-9lambda(5)-phospha-12-tridecen-1-yl (Z)-5-dodecenoate

【CA登记号】

【分子式】C₄₄H₈₃N₂O₉P

【分子量】815.124862

【元素组成】C 64.83% H 10.26% N 3.44% O 17.67% P 3.8%

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：(XVI)

After conversion of amine (XIV) to the ketoamide (XV), the N-Boc group was cleaved with trifluoroacetic acid to provide the primary amine (XVI). Condensation of adipic acid (XVII) with amine (XVI) in the presence of EDC gave rise to the diamide (XVIII).

参考文献中间体

合成目标

【1】 Rossignol, D.P.; Ishizaka, S.T.; Nault, A.; Lewis, M.; Rose, J.; McGuiness, P.; Hawkins, L.D. (Eisai Co., Ltd.); Immunological adjuvant cpd.. EP 1147117; US 6290973; WO 0044758 .

中间体序号	中间体编号	品名	CAS号	分子式	供应商	用于合成
(XIV)	49130	(1R)-9-(allyloxy)-6-amino-1-heptyl-16,16-dimethyl-9,14-dioxo-4,8,10,15-tetraoxa-13-aza-9lambda(5)-phosphaheptadec-1-yl (Z)-5-dodecenoate		C₃₅H₆₇N₂O₉P	详情	详情
(XV)	49131	(1R)-9-(allyloxy)-1-heptyl-16,16-dimethyl-9,14-dioxo-6-[(3-oxotetradecanoyl)amino]-4,8,10,15-tetraoxa-13-aza-9lambda(5)-phosphaheptadec-1-yl (Z)-5-dodecenoate		C₄₉H₉₁N₂O₁₁P	详情	详情
(XVI)	49132	(1R)-9-(2-aminoethoxy)-1-heptyl-9-oxo-6-[(3-oxotetradecanoyl)amino]-4,8,10-trioxa-9lambda(5)-phospha-12-tridecen-1-yl (Z)-5-dodecenoate		C₄₄H₈₃N₂O₉P	详情	详情
(XVII)	49133	Hexanedioic acid; Hexanedioic acid; 1,6-Hexanedioic acid; 1,4-Butanedicarboxylic acid; Adipic acid	124-04-9	C₆H₁₀O₄	详情	详情
(XVIII)	49134	(1R,32R,38Z)-9,24-bis(allyloxy)-1,32-diheptyl-9,14,19,24,34-pentaoxo-6,27-bis[(3-oxotetradecanoyl)amino]-4,8,10,23,25,29,33-heptaoxa-13,20-diaza-9lambda(5),24lambda(5)-diphospha-38-pentatetraconten-1-yl (Z)-5-dodecenoate		C₉₄H₁₇₂N₄O₂₀P₂	详情	详情

Extended Information