1,3-Dimethyl-6-propylpyrimidine-2,4(1H,3H)-dione

Base Information

• Chemical Name: 1,3-Dimethyl-6-propylpyrimidine-2,4(1H,3H)-dione
• CAS No.: 28267-45-0
• Molecular Formula: C9H14N2O2
• Molecular Weight: 182.22000
• DSSTox Substance ID: DTXSID30570903
• Nikkaji Number: J645.146B
• Wikidata: Q82458474
• Mol file: 28267-45-0.mol

Synonyms:28267-45-0;1,3-dimethyl-6-propyluracil;1,3-Dimethyl-6-propylpyrimidine-2,4(1H,3H)-dione;DTXSID30570903;1,3-dimethyl-6-propyl-2,4(1H,3H)-pyrimidinedione

Chemical Property of 1,3-Dimethyl-6-propylpyrimidine-2,4(1H,3H)-dione

Chemical Property:

• Vapor Pressure: 0.014mmHg at 25°C
• Melting Point: 60-61 °C
• Boiling Point: 258.676oC at 760 mmHg
• PKA: -2.01±0.40(Predicted)
• Flash Point: 101.212oC
• PSA: 44.00000
• Density: 1.092g/cm3
• LogP: 0.03650
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.105527694
• Heavy Atom Count: 13
• Complexity: 271

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=O)N(C(=O)N1C)C

Technology Process of 1,3-Dimethyl-6-propylpyrimidine-2,4(1H,3H)-dione

There total 4 articles about 1,3-Dimethyl-6-propylpyrimidine-2,4(1H,3H)-dione 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:

propylthiouracil (51-52-5) → 1,3-dimethyl-6-n-propyluracil (28267-45-0)

Guidance literature:

Multi-step reaction with 2 steps

1: chloroacetic acid

2: aq. NaOH solution

With sodium hydroxide; chloroacetic acid;

Reference yield:

6-propyl(1H,3H)pyrimidine-2,4-dione (13345-08-9) + dimethyl sulfate (77-78-1) → 1,3-dimethyl-6-n-propyluracil (28267-45-0)

Guidance literature:

With sodium hydroxide;

Reference yield:

1,3,6-trimethyluracil (13509-52-9) + ethyl iodide (75-03-6) → 1,3-dimethyl-6-n-propyluracil (28267-45-0)

Guidance literature:

Yield given. Multistep reaction; 1.) THF, -78 deg C, LHMDS, 1 h, 2.) THF, -50 deg C, 6 h;

DOI:10.3987/com-96-7502

upstream raw materials:

6-propyl(1H,3H)pyrimidine-2,4-dione

dimethyl sulfate

1,3,6-trimethyluracil

ethyl iodide

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