Methyl 6-(methoxymethyl)-2-oxo-4-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Base Information

• Chemical Name: Methyl 6-(methoxymethyl)-2-oxo-4-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• CAS No.: 252002-09-8
• Molecular Formula: C₁₄H₁₃F₃N₂O₄
• Molecular Weight: 330.263
• DSSTox Substance ID: DTXSID10440892
• Mol file: 252002-09-8.mol

Synonyms:DTXSID10440892;252002-09-8;Methyl 6-(methoxymethyl)-2-oxo-4-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Chemical Property of Methyl 6-(methoxymethyl)-2-oxo-4-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 330.08274139
• Heavy Atom Count: 23
• Complexity: 502

Purity/Quality:

99% ^*data from raw suppliers

1,2,3,4-TETRAHYDRO-6-(METHOXYMETHYL)-2-OXO-4-(3,4,5-TRIFLUOROPHENYL)-5-PYRIMIDINECARBOXYLIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COCC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)F)F)F)C(=O)OC

Technology Process of Methyl 6-(methoxymethyl)-2-oxo-4-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

There total 2 articles about Methyl 6-(methoxymethyl)-2-oxo-4-(3,4,5-trifluorophenyl)-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: 94.0%

4-methoxyacetoacetic acid methylester (41051-15-4) + urea (57-13-6) + 3,4,5-trifluorobenzaldehyde (132123-54-7) → 5-methoxycarbonyl-4-methoxymethyl-2-oxo-1,2,3,6-tetrahydro-6-(3,4,5-trifluorophenyl)pyrimidine (252002-09-8)

Guidance literature:

With copper(I) oxide; boron trifluoride diethyl etherate; acetic acid; In tetrahydrofuran; for 8h; Heating;

DOI:10.1021/jm990201h

Reference yield:

4-methoxyacetoacetic acid methylester (41051-15-4) + urea (57-13-6) + 3,4,5-trifluorobenzaldehyde (132123-54-7) → (+)-5-methoxycarbonyl-4-methoxymethyl-2-oxo-1,2,3,6-tetrahydro-6-(3,4,5-trifluorophenyl)pyrimidine (252002-09-8)

Guidance literature:

4-methoxyacetoacetic acid methylester; urea; 3,4,5-trifluorobenzaldehyde; With copper(I) oxide; boron trifluoride diethyl etherate; acetic acid; In tetrahydrofuran; for 8h; Heating;

HPLC resolution on Chiralcel OD 20;

DOI:10.1021/jm990201h

upstream raw materials:

4-methoxyacetoacetic acid methylester

urea

3,4,5-trifluorobenzaldehyde