4-(3-Hydroxypropylamino)-1,3-dimethyluracil

Base Information

• Chemical Name: 4-(3-Hydroxypropylamino)-1,3-dimethyluracil
• CAS No.: 34654-80-3
• Molecular Formula: C9H15N3O3
• Molecular Weight: 213.236
• Hs Code.: 2933599090
• European Community (EC) Number: 252-128-3
• Nikkaji Number: J250.939C
• Mol file: 34654-80-3.mol

Synonyms:1,3-Dimethyl-4-(g-hydroxypropylamino)uracil;

Chemical Property of 4-(3-Hydroxypropylamino)-1,3-dimethyluracil

Chemical Property:

• Melting Point: 148-150 °C
• Boiling Point: 367.5 °C at 760 mmHg
• PKA: 15.03±0.10(Predicted)
• Flash Point: 176.1 °C
• PSA: 76.26000
• Density: 1.295 g/cm³
• LogP: -1.04870
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 213.11134135
• Heavy Atom Count: 15
• Complexity: 301

Purity/Quality:

99.9% ^*data from raw suppliers

6-((3-Hydroxypropyl)amino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC(=O)N(C1=O)C)NCCCO

Technology Process of 4-(3-Hydroxypropylamino)-1,3-dimethyluracil

There total 2 articles about 4-(3-Hydroxypropylamino)-1,3-dimethyluracil 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: 91.0%

propan-1-ol-3-amine (156-87-6) + 6-hydroxy-1,3-dimethyluracil (41949-07-9) → 1,3-dimethyl-6-(3-hydroxy-propyl)amino uracil (34654-80-3)

Guidance literature:

With sodium sulfite; In cyclohexane; at 65 - 160 ℃; for 2.83333h; Temperature;

Reference yield:

→ 1,3-dimethyl-6-(3-hydroxy-propyl)amino uracil (34654-80-3)

Guidance literature:

4-Chloruracilverb., 3-Aminopropanol;

Reference yield: 92.1%

1,3-dimethyl-6-(3-hydroxy-propyl)amino uracil (34654-80-3) → 6?(3?chloropropyl)amino?1,3?dimethyluracil (34654-81-4)

Guidance literature:

With thionyl chloride; In acetone; at 0 - 55 ℃; for 0.5h; Solvent; Temperature; Time; Industrial scale;

upstream raw materials:

propan-1-ol-3-amine

6-hydroxy-1,3-dimethyluracil

Downstream raw materials:

6?(3?chloropropyl)amino?1,3?dimethyluracil

Refernces