Propyl 4-(2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Base Information

• Chemical Name: Propyl 4-(2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• CAS No.: 5706-16-1
• Molecular Formula: C18H24N2O5
• Molecular Weight: 254.716
• DSSTox Substance ID: DTXSID60386438,DTXSID201120211
• Mol file: 5706-16-1.mol

Synonyms:propyl 4-(2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate;5706-16-1;propyl 6-(2,5-dimethoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate;AG-690/11821784;Oprea1_621808;Oprea1_731419;DTXSID60386438;CUKABWNDHAKWCW-UHFFFAOYSA-N;DTXSID201120211;STK375261;AKOS000655346;SR-01000411170;SR-01000411170-1;303137-78-2;Propyl 4-(2,5-dimethoxyphenyl)-1,2,3,4-tetrahydro-1,6-dimethyl-2-oxo-5-pyrimidinecarboxylate

Chemical Property of Propyl 4-(2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Chemical Property:

• Vapor Pressure: 3.51E-11mmHg at 25°C
• Boiling Point: 526.6°Cat760mmHg
• Flash Point: 272.3°C
• Density: 1.153g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 348.16852187
• Heavy Atom Count: 25
• Complexity: 534

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC(=C2)OC)OC)C)C

Technology Process of Propyl 4-(2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

There total 1 articles about Propyl 4-(2,5-dimethoxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 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: 95.0%

2-chloro-benzaldehyde (89-98-5) + inden-1-one (83-33-0) → 2-(2-Chlor-benzyliden)-indan-1-on (5706-16-1)

Guidance literature:

With molybdenum(V) chloride; In neat (no solvent); for 0.1h; Microwave irradiation; Green chemistry;

DOI:10.1002/jccs.201900081

Reference yield: 89.0%

2-(2-Chlor-benzyliden)-indan-1-on (5706-16-1) → 2-(2-chlorobenzyl)-2,3-dihydro-1H-inden-1-one

Guidance literature:

With formic acid; C₁₈H₂₄ClIrN₃⁽¹⁺⁾*Cl^(1-); triethylamine; In water; at 80 ℃; for 6h; chemoselective reaction; Green chemistry;

DOI:10.1016/j.tetlet.2021.153627

Reference yield: 89.0%

3-amino-1-phenyl-2-pyrazolin-5-one (4149-06-8) + 2-(2-Chlor-benzyliden)-indan-1-on (5706-16-1) → 4-(2-chlorophenyl)-2-phenyl-1,2-dihydroindeno[1,2-b]pyrazolo[4,3-e]pyridin-3(5H)-one

Guidance literature:

With toluene-4-sulfonic acid; In water; acetonitrile; at 80 ℃;

DOI:10.1016/j.tet.2016.07.073

upstream raw materials:

2-chloro-benzaldehyde

inden-1-one