N-(4,6-Dihydroxy-2-methyl-5-pyrimidinyl)acetamide

Base Information

• Chemical Name: N-(4,6-Dihydroxy-2-methyl-5-pyrimidinyl)acetamide
• CAS No.: 98797-16-1
• Molecular Formula: C7H9N3O3
• Molecular Weight: 183.167
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID00358699
• Wikidata: Q82139470
• ChEMBL ID: CHEMBL1904341
• Mol file: 98797-16-1.mol

Synonyms:N-(4,6-Dihydroxy-2-methyl-5-pyrimidinyl)acetamide;N-(4,6-dihydroxy-2-methylpyrimidin-5-yl)acetamide;98797-16-1;N-(4,6-Dihydroxy-2-methyl-pyrimidin-5-yl)-acetamide;EC-000.1674;Oprea1_372848;MLS000776710;CHEMBL1904341;SCHEMBL15564633;DTXSID00358699;UVOXYLLQQMCAAX-UHFFFAOYSA-N;HMS2744J18;STL298153;AKOS006277614;SMR000413109

Chemical Property of N-(4,6-Dihydroxy-2-methyl-5-pyrimidinyl)acetamide

Chemical Property:

• Vapor Pressure: 6.14E-08mmHg at 25°C
• Boiling Point: 428.3°C at 760 mmHg
• Flash Point: 212.8°C
• PSA: 95.34000
• Density: 1.51g/cm³
• LogP: 0.22760
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 183.06439116
• Heavy Atom Count: 13
• Complexity: 330

Purity/Quality:

N-(4,6-DIHYDROXY-2-METHYLPYRIMIDIN-5-YL)ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(C(=O)N1)NC(=O)C)O

Technology Process of N-(4,6-Dihydroxy-2-methyl-5-pyrimidinyl)acetamide

There total 1 articles about N-(4,6-Dihydroxy-2-methyl-5-pyrimidinyl)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:

acetamidine hydrochloride (124-42-5) + 2-acetylaminomalonic acid diethyl ester (1068-90-2) → N-(4,6-dihydroxy-2-methylpyrimidin-5-yl)acetamide (98797-16-1)

Guidance literature:

With sodium methylate; In methanol; at 0 ℃; for 16h; Reflux;

Reference yield:

N-(4,6-dihydroxy-2-methylpyrimidin-5-yl)acetamide (98797-16-1) → 5-amino-4,6-dichloro-2-methylpyrimidine (39906-04-2)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / water; methanol / 15.5 h / 20 - 50 °C / Inert atmosphere

2: trichlorophosphate / 20 h / 110 °C / Inert atmosphere; Sealed tube

With hydrogenchloride; trichlorophosphate; In methanol; water;

Reference yield:

N-(4,6-dihydroxy-2-methylpyrimidin-5-yl)acetamide (98797-16-1) → 5-amino-4,6-dihydroxy-2-methylpyrimidine (98797-08-1)

Guidance literature:

With hydrogenchloride; In methanol; water; at 20 - 50 ℃; for 15.5h; Inert atmosphere;

upstream raw materials:

acetamidine hydrochloride

2-acetylaminomalonic acid diethyl ester

Downstream raw materials:

5-amino-4,6-dihydroxy-2-methylpyrimidine

5-amino-4,6-dichloro-2-methylpyrimidine