4-amino-2-n-butylamino-[9H]-9-[3′-(pyrrolidin-1′′-ylmethyl)-benzyl] pyrimido[6,5:b]-5,6,7,8-tetrahydro[1,4]diazepin-6-one

Base Information

Chemical Name:4-amino-2-n-butylamino-[9H]-9-[3′-(pyrrolidin-1′′-ylmethyl)-benzyl] pyrimido[6,5:b]-5,6,7,8-tetrahydro[1,4]diazepin-6-one
CAS No.:1228585-89-4
Molecular Formula:C₂₃H₃₂N₆O₂
Molecular Weight:424.546
Hs Code.:

Synonyms:4-amino-2-n-butylamino-[9H]-9-[3′-(pyrrolidin-1′′-ylmethyl)-benzyl] pyrimido[6,5:b]-5,6,7,8-tetrahydro[1,4]diazepin-6-one

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Chemical Property of 4-amino-2-n-butylamino-[9H]-9-[3′-(pyrrolidin-1′′-ylmethyl)-benzyl] pyrimido[6,5:b]-5,6,7,8-tetrahydro[1,4]diazepin-6-one

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Technology Process of 4-amino-2-n-butylamino-[9H]-9-[3′-(pyrrolidin-1′′-ylmethyl)-benzyl] pyrimido[6,5:b]-5,6,7,8-tetrahydro[1,4]diazepin-6-one

There total 5 articles about 4-amino-2-n-butylamino-[9H]-9-[3′-(pyrrolidin-1′′-ylmethyl)-benzyl] pyrimido[6,5:b]-5,6,7,8-tetrahydro[1,4]diazepin-6-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 78.0%

: 1228588-22-4
ethyl-Nβ-[4-amino-2-n-butoxy-5-nitropyrimidin-6-yl],Nβ-[3′-(pyrrolidin-1″-ylmethyl)-benzyl]-β-alaninoate

: 1228585-89-4
4-amino-2-n-butylamino-[9H]-9-[3′-(pyrrolidin-1′′-ylmethyl)-benzyl] pyrimido[6,5:b]-5,6,7,8-tetrahydro[1,4]diazepin-6-one

Guidance literature:: ethyl-Nβ-[4-amino-2-n-butoxy-5-nitropyrimidin-6-yl],Nβ-[3′-(pyrrolidin-1″-ylmethyl)-benzyl]-β-alaninoate; With acetic acid; at 60 ℃; for 1h;

With zinc; for 2h;
DOI:10.1021/jm400815m

Reference yield:

: 1228588-19-9
ethyl-Nβ-[3-(pyrroldin-1′-ylmethyl)-benzyl]-β-alaninoate

: 1228585-89-4
4-amino-2-n-butylamino-[9H]-9-[3′-(pyrrolidin-1′′-ylmethyl)-benzyl] pyrimido[6,5:b]-5,6,7,8-tetrahydro[1,4]diazepin-6-one

Guidance literature:: Multi-step reaction with 4 steps

1.1: triethylamine / tetrahydrofuran / -78 - 23 °C

2.1: acetic acid; dihydrogen peroxide; sodium tungstate (VI) dihydrate / ethanol / 0 °C

3.1: trifluoroacetic acid / 5.5 h / 95 - 100 °C

4.1: acetic acid / 1 h / 60 °C

4.2: 2 h

With sodium tungstate (VI) dihydrate; dihydrogen peroxide; acetic acid; triethylamine; trifluoroacetic acid; In tetrahydrofuran; ethanol;
DOI:10.1021/jm400815m

Reference yield:

: 1228588-20-2
ethyl-Nβ-[4-amino-2-methylthio-5-nitropyrimidin-6-yl],Nβ-[3′-(pyrrolidin-1″-ylmethyl)-benzyl]-β-alaninoate

: 1228585-89-4
4-amino-2-n-butylamino-[9H]-9-[3′-(pyrrolidin-1′′-ylmethyl)-benzyl] pyrimido[6,5:b]-5,6,7,8-tetrahydro[1,4]diazepin-6-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: acetic acid; dihydrogen peroxide; sodium tungstate (VI) dihydrate / ethanol / 0 °C

2.1: trifluoroacetic acid / 5.5 h / 95 - 100 °C

3.1: acetic acid / 1 h / 60 °C

3.2: 2 h

With sodium tungstate (VI) dihydrate; dihydrogen peroxide; acetic acid; trifluoroacetic acid; In ethanol;
DOI:10.1021/jm400815m