4,6-Dimethylpyrimidin-5-amine

Base Information

• Chemical Name: 4,6-Dimethylpyrimidin-5-amine
• CAS No.: 90856-77-2
• Molecular Formula: C6H9N3
• Molecular Weight: 123.158
• DSSTox Substance ID: DTXSID80575089
• Wikidata: Q72471897
• Mol file: 90856-77-2.mol

Synonyms:4,6-Dimethylpyrimidin-5-amine;90856-77-2;5-Amino-4,6-dimethylpyrimidine;MFCD09834647;5-pyrimidinamine, 4,6-dimethyl- (9ci);5-Pyrimidinamine, 4,6-dimethyl-;MEPERIDINEHYDROCHLORIDE;SCHEMBL10749916;4,6-Dimethyl-pyrimidin-5-amine;DTXSID80575089;NBUHTTJGQKIBMR-UHFFFAOYSA-N;4,6-Dimethyl-pyrimidin-5-ylamine;AKOS006328320;SB57428;4 pound not6-Dimethylpyrimidin-5-amine;AS-30795;SY107612;CS-0019358;EN300-2987043;A843658;J-516723

Chemical Property of 4,6-Dimethylpyrimidin-5-amine

Chemical Property:

• Vapor Pressure: 0.0155mmHg at 25°C
• Refractive Index: 1.569
• Boiling Point: 256.3 °C at 760 mmHg
• Flash Point: 132.5 °C
• PSA: 51.80000
• Density: 1.112 g/cm³
• LogP: 1.25680
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 123.079647300
• Heavy Atom Count: 9
• Complexity: 84.3

Purity/Quality:

97% ^*data from raw suppliers

4,6-Dimethylpyrimidin-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,6-Dimethylpyrimidin-5-amine

There total 5 articles about 4,6-Dimethylpyrimidin-5-amine 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:

2-chloro-4,6-dimethyl-5-nitropyrimidine (1080650-03-8) → 4,6-dimethylpyrimidin-5-ylamine (90856-77-2)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; at 20 ℃; for 5h;

Reference yield:

4,6-dimethyl-2(1H)-pyrimidinone (108-79-2) → 4,6-dimethylpyrimidin-5-ylamine (90856-77-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: nitric acid; sulfuric acid / 5 h / 0 - 20 °C

1.2: pH ~ 4 / Cooling with ice

2.1: trichlorophosphate / 5 h / Reflux

3.1: hydrogen / palladium 10% on activated carbon / ethanol / 5 h / 20 °C

With sulfuric acid; hydrogen; nitric acid; trichlorophosphate; palladium 10% on activated carbon; In ethanol;

Reference yield:

acetylacetone (123-54-6,81235-32-7) → 4,6-dimethylpyrimidin-5-ylamine (90856-77-2)

Guidance literature:

Multi-step reaction with 4 steps

1.1: hydrogenchloride / ethanol; water / 24 h / 80 °C

2.1: nitric acid; sulfuric acid / 5 h / 0 - 20 °C

2.2: pH ~ 4 / Cooling with ice

3.1: trichlorophosphate / 5 h / Reflux

4.1: hydrogen / palladium 10% on activated carbon / ethanol / 5 h / 20 °C

With hydrogenchloride; sulfuric acid; hydrogen; nitric acid; trichlorophosphate; palladium 10% on activated carbon; In ethanol; water;

upstream raw materials:

4,6-dimethyl-2(1H)-pyrimidinone

acetylacetone

4,6-dimethyl-5-nitro-2-hydroxypyrimidine

2-chloro-4,6-dimethyl-5-nitropyrimidine

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