2-amino-4-oxo-6-acetyl-7,8-dihydro-3H,9H-pyrimidodiazepine

Base Information

• Chemical Name: 2-amino-4-oxo-6-acetyl-7,8-dihydro-3H,9H-pyrimidodiazepine
• CAS No.: 80003-63-0
• Molecular Formula: C₉H₁₁N₅O₂
• Molecular Weight: 221.219
• Mol file: 80003-63-0.mol

Synonyms:Aoadpd;6-Acetylhomopterin;6-Acetyldihydrohomopterin;Quench spot;6-acetyl-2-amino-1,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one;Pyrimidodiazepine;

Chemical Property of 2-amino-4-oxo-6-acetyl-7,8-dihydro-3H,9H-pyrimidodiazepine

Chemical Property:

• Vapor Pressure: 1.08E-06mmHg at 25°C
• Boiling Point: 402.7°Cat760mmHg
• Flash Point: 197.3°C
• PSA: 114.22000
• Density: 1.7g/cm³
• LogP: -0.25480

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-amino-4-oxo-6-acetyl-7,8-dihydro-3H,9H-pyrimidodiazepine

There total 10 articles about 2-amino-4-oxo-6-acetyl-7,8-dihydro-3H,9H-pyrimidodiazepine 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: 57.0%

2,2a-dihydroxy-2-methyl-6-nitro-1,2,2a,3,4,5-hexahydro-1,5,8,8b-tetra-aza-acenaphthylen-7-one (130710-72-4) → 6-acetylhomopterin (80003-63-0)

Guidance literature:

With water; iron; In N,N-dimethyl-formamide; at 40 - 45 ℃; for 2h; pH 3-4 (dilute HCl);

Reference yield:

1-amino-4,4-diethoxypentan-3-ol (114113-83-6) → 6-acetylhomopterin (80003-63-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 80 percent / sodium hydrogen carbonate / ethanol

2: dimethylsulfoxide

3: alkali

4: 1.) sodium dithionite, alkali; 2.) 1M barium chloride / 1.) DMF; 2.) pH 3, room temp., 20 min

With sodium dithionite; sodium hydrogencarbonate; dimethyl sulfoxide; barium(II) chloride; In ethanol;

DOI:10.1016/S0040-4039(00)96722-4

Reference yield:

4,4-diethoxy-3-hydroxypentanal oxime (114113-82-5,114113-90-5) → 6-acetylhomopterin (80003-63-0)

Guidance literature:

Multi-step reaction with 5 steps

1: 80 percent / lithium aluminium hydride

2: 80 percent / sodium hydrogen carbonate / ethanol

3: dimethylsulfoxide

4: alkali

5: 1.) sodium dithionite, alkali; 2.) 1M barium chloride / 1.) DMF; 2.) pH 3, room temp., 20 min

With lithium aluminium tetrahydride; sodium dithionite; sodium hydrogencarbonate; dimethyl sulfoxide; barium(II) chloride; In ethanol;

DOI:10.1016/S0040-4039(00)96722-4

upstream raw materials:

2,2a-dihydroxy-2-methyl-6-nitro-1,2,2a,3,4,5-hexahydro-1,5,8,8b-tetra-aza-acenaphthylen-7-one

2-Amino-6-(1,1-diethoxy-ethyl)-3,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-4-one

2-amino-6-(4,4-diethoxy-3-oxopentylamino)-5-nitropyrimidin-4(3H)-one

1-amino-4,4-diethoxypentan-3-ol

Refernces

• 1、 Boyle, Peter H.,Hughes, Enid M.,Khattab, Hassan A.,Lockhart, Ronan J.. "Synthesis of a Naturally Occurring Dihydrohomopteridine Insect Metabolite, 6-Acetyl-2-amino-7,8-dihydro-9H-pyrimidodiazepin-4(3H)-one". . p. 2071 - 2077. Retrieved 2007/10/02.