BAY41-4109 Racemic

Base Information

• Chemical Name: BAY41-4109 Racemic
• CAS No.: 298708-79-9
• Molecular Formula: C₁₈H₁₃ClF₃N₃O₂
• Molecular Weight: 395.768
• Mol file: 298708-79-9.mol

Synonyms:methyl 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate

Chemical Property of BAY41-4109 Racemic

Chemical Property:

• Storage Temp.: Sealed in dry,Store in freezer, under -20°C

Purity/Quality:

97% ^*data from raw suppliers

4-?(2-Chloro-?4-?fluorophenyl)?-?2-?(3,?5-?difluoro-?2-?pyridinyl)?-?1,?4-?dihydro-?6-?methyl-?5-?pyrimidinecarboxylicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 4-?(2-Chloro-?4-?fluorophenyl)?-?2-?(3,?5-?difluoro-?2-?pyridinyl)?-?1,?4-?dihydro-?6-?methyl-?5-?pyrimidinecarboxylic Acid Methyl Ester is an antiviral compound that inhibits HBV replication by destabilizing capsid assembly.

Technology Process of BAY41-4109 Racemic

There total 3 articles about BAY41-4109 Racemic 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: 80.0%

methyl 2-(2-chloro-4-fluorobenzylidene)-3-oxobutanoate (298709-35-0) + amino(3,5-difluoropyridin-2-yl)methaniminium chloride (298709-32-7) → methyl 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate (298708-79-9) + C18H13ClF3N3O2

Guidance literature:

With sodium acetate; In isopropyl alcohol; for 4h; Heating / reflux;

Reference yield:

3,5-difluoropyridine-2-carbonitrile (298709-29-2) → methyl 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate (298708-79-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium methylate / methanol / 3 h / 20 °C

2: potassium acetate / 2,2,2-trifluoroethanol / 16 h / Reflux; Inert atmosphere

With sodium methylate; potassium acetate; In methanol; 2,2,2-trifluoroethanol;

DOI:10.1021/acs.jmedchem.7b00083

Reference yield:

→ methyl 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate (298708-79-9)

Guidance literature:

With sodium acetate; In ethanol; at 80 ℃;

upstream raw materials:

methyl 2-(2-chloro-4-fluorobenzylidene)-3-oxobutanoate

amino(3,5-difluoropyridin-2-yl)methaniminium chloride

3,5-difluoropyridine-2-carbonitrile

Downstream raw materials:

methyl (R)-6-bromomethyl-4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoro-2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate

(S)-4-[(R)-6-(2-chloro-4-fluoro-phenyl)-2-(3,5-difluoro-pyridin-2-yl)-5-methoxycarbonyl-3,6-dihydro-pyrimidin-4-ylmethyl]-morpholine-3-carboxylic acid