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CAS 55686-22-1

N,N-Dihydroxymethyl-t-butylamine

Codes:Rifampicin-011

Application context (from source-drug indications)

结核分枝杆菌感染盐酸乙胺丁醇/利福平/异烟肼结核分枝杆菌感染利福平麻风分枝杆菌感染利福平肺结核利福平脑膜炎球菌性脑膜炎利福平新型冠状病毒感染利福平呼吸道病毒感染利福平

Source drugs (routes using this intermediate)

DrugTierExpiry
Ethambutol Hydrochloride/Rifampicin/IsoniazidEthambutol Hydrochloride/Rifampicin/IsoniazidTier C — Watch / trade-
RifampicinRifampicinTier 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.

Ethambutol Hydrochloride/Rifampicin/Isoniazid优化路线steps: 4total yield: 14.02g(Rifampicin (FREE))
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-Trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1(4,7).0(5,28)]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl acetate→N,N-Dihydroxymethyl-t-butylamine→2-Methylpropan-2-amine→(10S,13E,15S,16R,17S,18R,19R,20R,21S,22S,23E,25Z)-3-tert-Butyl-6,7,19,21-tetrahydroxy-15-methoxy-8,10,16,18,20,22,26-heptamethyl-11,27-dioxo-3,4,10,11-tetrahydro-2H-10,5-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[2,1-e][1,3]oxazin-17-yl acetate→(10S,13E,15S,16R,17S,18R,19R,20R,21S,22S,23E,25Z)-6,7,19,21-Tetrahydroxy-15-methoxy-3,8,10,16,18,20,22,26-octamethyl-11,27-dioxo-3,4,10,11-tetrahydro-2H-10,5-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[2,1-e][1,3]oxazin-17-yl acetate→(10S,13E,15S,16R,17S,18R,19R,20R,21S,22S,23E,25Z)-6,7,19,21-Tetrahydroxy-15-methoxy-8,10,16,18,20,22,26-heptamethyl-3-[2-(morpholin-4-yl)ethyl]-11,27-dioxo-3,4,10,11-tetrahydro-2H-10,5-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[2,1-e][1,3]oxazin-17-yl acetate→(10S,13E,15S,16R,17S,18R,19R,20R,21S,22S,23E,25Z)-3-(1-Ethylpiperidin-3-yl)-6,7,19,21-tetrahydroxy-15-methoxy-8,10,16,18,20,22,26-heptamethyl-11,27-dioxo-3,4,10,11-tetrahydro-2H-10,5-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[2,1-e][1,3]oxazin-17-yl acetate→4-Methylpiperazin-1-amine→N-Methylpiperazine
Rifampicin优化路线steps: 4total yield: 14.02g(Rifampicin (FREE))
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-Trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1(4,7).0(5,28)]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl acetate→N,N-Dihydroxymethyl-t-butylamine→2-Methylpropan-2-amine→(10S,13E,15S,16R,17S,18R,19R,20R,21S,22S,23E,25Z)-3-tert-Butyl-6,7,19,21-tetrahydroxy-15-methoxy-8,10,16,18,20,22,26-heptamethyl-11,27-dioxo-3,4,10,11-tetrahydro-2H-10,5-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[2,1-e][1,3]oxazin-17-yl acetate→(10S,13E,15S,16R,17S,18R,19R,20R,21S,22S,23E,25Z)-6,7,19,21-Tetrahydroxy-15-methoxy-3,8,10,16,18,20,22,26-octamethyl-11,27-dioxo-3,4,10,11-tetrahydro-2H-10,5-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[2,1-e][1,3]oxazin-17-yl acetate→(10S,13E,15S,16R,17S,18R,19R,20R,21S,22S,23E,25Z)-6,7,19,21-Tetrahydroxy-15-methoxy-8,10,16,18,20,22,26-heptamethyl-3-[2-(morpholin-4-yl)ethyl]-11,27-dioxo-3,4,10,11-tetrahydro-2H-10,5-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[2,1-e][1,3]oxazin-17-yl acetate→(10S,13E,15S,16R,17S,18R,19R,20R,21S,22S,23E,25Z)-3-(1-Ethylpiperidin-3-yl)-6,7,19,21-tetrahydroxy-15-methoxy-8,10,16,18,20,22,26-heptamethyl-11,27-dioxo-3,4,10,11-tetrahydro-2H-10,5-(epoxypentadeca[1,11,13]trienoimino)furo[2',3':7,8]naphtho[2,1-e][1,3]oxazin-17-yl acetate→4-Methylpiperazin-1-amine→N-Methylpiperazine

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