2(1H)-Pyrimidinone, 1-(2-hydroxyethyl)-4,6-dimethyl-

Base Information

• Chemical Name: 2(1H)-Pyrimidinone, 1-(2-hydroxyethyl)-4,6-dimethyl-
• CAS No.: 14716-32-6
• Molecular Formula: C8H12 N2 O2
• Molecular Weight: 168.195
• UNII: 9PRF0R9JSF
• DSSTox Substance ID: DTXSID20933048
• Nikkaji Number: J1.008.627B
• ChEMBL ID: CHEMBL1625385
• Mol file: 14716-32-6.mol

Synonyms:1-(beta-hydroxyethyl)-4,6-dimethyl-1,2-dihydro-2-oxopyrimidine;N-(2-hydroxyethyl)-4,6-dimethyl-2-dehydropyrimidone;ximedon;ximedone;xymedon

Chemical Property of 2(1H)-Pyrimidinone, 1-(2-hydroxyethyl)-4,6-dimethyl-

Chemical Property:

• Vapor Pressure: 0.000127mmHg at 25°C
• Melting Point: 134.5-135.5 °C
• Boiling Point: 298.5°Cat760mmHg
• PKA: 14.79±0.10(Predicted)
• Flash Point: 134.3°C
• PSA: 55.12000
• Density: 1.19g/cm³
• LogP: -0.14760
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 168.089877630
• Heavy Atom Count: 12
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=O)N1CCO)C

Technology Process of 2(1H)-Pyrimidinone, 1-(2-hydroxyethyl)-4,6-dimethyl-

There total 1 articles about 2(1H)-Pyrimidinone, 1-(2-hydroxyethyl)-4,6-dimethyl- 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:

sodium salt of 4,6-dimethyl-1,2-dihydro-2-pyrimidone + 2-chloro-ethanol (107-07-3) → 1-(β-oxyethyl)-4,6-dimethyl-1,2-dihydro-2-oxopirimidone (14716-32-6)

Guidance literature:

In methanol; at 40 - 70 ℃;

DOI:10.1023/A:1015396630902

Reference yield: 89.0%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) + 1-(β-oxyethyl)-4,6-dimethyl-1,2-dihydro-2-oxopirimidone (14716-32-6) → 1,2-dihydro-4,6-dimethyl-1-(2-hydroxyethyl)-pyrimid-2-one para-aminobenzoate

Guidance literature:

In methanol; at 40 - 50 ℃; for 8h;

DOI:10.1134/S106816201704015X

Reference yield: 89.0%

nicotinic acid (59-67-6) + 1-(β-oxyethyl)-4,6-dimethyl-1,2-dihydro-2-oxopirimidone (14716-32-6) → 1,2-dihydro-4,6-dimethyl-1-(2-hydroxyethyl)-pyrimid-2-one nicotinate

Guidance literature:

In methanol; at 40 - 50 ℃; for 8h;

DOI:10.1134/S106816201704015X

upstream raw materials:

2-chloro-ethanol