N-[4-(1-Allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)phenyl]acetamide

Base Information

• Chemical Name: N-[4-(1-Allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)phenyl]acetamide
• CAS No.: 628279-02-7
• Molecular Formula: C₂₁H₂₅N₅O₃
• Molecular Weight: 395.461
• Mol file: 628279-02-7.mol

Synonyms:N-[4-(1-Allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)phenyl]acetamide;

Chemical Property of N-[4-(1-Allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)phenyl]acetamide

Chemical Property:

• PKA: 9.16±0.10(Predicted)
• PSA: 105.27000
• Density: 1.254 g/cm³
• LogP: 3.07110

Purity/Quality:

99% ^*data from raw suppliers

N-[4-(1-Allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)phenyl]acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: N-[4-(1-Allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)phenyl]acetamide is used for the preparation of amide-substituted xanthine derivatives as phosphoenolpyruvate carboxykinase inhibitors with gluconeogenesis modulating activity for treating type 2 diabetes.

Technology Process of N-[4-(1-Allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)phenyl]acetamide

There total 4 articles about N-[4-(1-Allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)phenyl]acetamide 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:

3-allyl-6-amino-1-butyl-1H-pyrimidine-2,4-dione (628278-98-8) → N-[4-(1-allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)-phenyl]-acetamide (628279-02-7)

Guidance literature:

Multi-step reaction with 3 steps

1.1: aq. NaNO₂; HOAc

1.2: Na₂S₂O₄; NH₄OH / 85 - 95 °C

2.1: EDCI; imidazole

2.2: DMAP / dimethylformamide

3.1: aq. NaOH / methanol / 50 °C

With 1H-imidazole; sodium hydroxide; acetic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; sodium nitrite; In methanol;

DOI:10.1016/S0960-894X(03)00722-4

Reference yield:

3-allyl-5,6-diamino-1-butyl-1H-pyrimidine-2,4-dione (628278-99-9) → N-[4-(1-allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)-phenyl]-acetamide (628279-02-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: EDCI; imidazole

1.2: DMAP / dimethylformamide

2.1: aq. NaOH / methanol / 50 °C

With 1H-imidazole; sodium hydroxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol;

DOI:10.1016/S0960-894X(03)00722-4

Reference yield:

3-Allyl-6-amino-1-butyl-5-nitroso-1H-pyrimidine-2,4-dione (637334-84-0) → N-[4-(1-allyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)-phenyl]-acetamide (628279-02-7)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium dithionite; ammonium hydroxide / water / 95 °C

2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / 1H-imidazole; dmap / DMF (N,N-dimethyl-formamide) / 12 h / 20 °C

3: sodium hydroxide / methanol; water / 50 °C

With sodium hydroxide; sodium dithionite; ammonium hydroxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 1H-imidazole; dmap; In methanol; DMF (N,N-dimethyl-formamide); water;

upstream raw materials:

6-amino-1-n-butyl-1,3-dihydropyrimidine-2,4-dione

3-allyl-6-amino-1-butyl-1H-pyrimidine-2,4-dione

3-allyl-5,6-diamino-1-butyl-1H-pyrimidine-2,4-dione

3-Allyl-6-amino-1-butyl-5-nitroso-1H-pyrimidine-2,4-dione

Downstream raw materials:

2-(4-Acetylamino-phenyl)-N-(3-allyl-6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acetamide

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