Ethyl 4,6-dimethoxypyrimidine-2-carboxylate

Base Information

• Chemical Name: Ethyl 4,6-dimethoxypyrimidine-2-carboxylate
• CAS No.: 128276-49-3
• Molecular Formula: C9H12N2O4
• Molecular Weight: 212.2026
• Hs Code.: 2933599090
• European Community (EC) Number: 812-483-2
• DSSTox Substance ID: DTXSID20403413
• Nikkaji Number: J1.038.970D
• Wikidata: Q72474491
• Mol file: 128276-49-3.mol

Synonyms:ethyl 4,6-dimethoxypyrimidine-2-carboxylate;128276-49-3;2-Pyrimidinecarboxylicacid, 4,6-dimethoxy-, ethyl ester;2-ethoxycarbonyl-4,6-dimethoxypyrimidine;Peakdale1_002680;SCHEMBL577793;4,6-Dimethoxypyrimidine-2-carboxylic acidethyl ester;HMS525J18;DTXSID20403413;ODMOQVSDVCHMLF-UHFFFAOYSA-N;4,6-DIMETHOXYPYRIMIDINE-2-CARBOXYLIC ACID ETHYL ESTER;MFCD03645366;AKOS015892553;PS-7988;SB57911;ethyl4,6-dimethoxypyrimidine-2-carboxylate;CS-0318631;Ethyl-4,6-dimethoxy-pyrimidin-2-carboxylate;FT-0684493;2-Pyrimidinecarboxylic acid, 4,6-dimethoxy-, ethyl ester

Chemical Property of Ethyl 4,6-dimethoxypyrimidine-2-carboxylate

Chemical Property:

• Vapor Pressure: 4.05E-05mmHg at 25°C
• Refractive Index: 1.497
• Boiling Point: 351.7 °C at 760 mmHg
• Flash Point: 166.5 °C
• PSA: 70.54000
• Density: 1.19 g/cm³
• LogP: 0.67050
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 212.07970687
• Heavy Atom Count: 15
• Complexity: 200

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl4,6-Dimethoxypyrimidine-2-Carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NC(=CC(=N1)OC)OC

Technology Process of Ethyl 4,6-dimethoxypyrimidine-2-carboxylate

There total 3 articles about Ethyl 4,6-dimethoxypyrimidine-2-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: 87.0%

ethanol (64-17-5) + carbon monoxide (201230-82-2) + 2-chloro-4,6-dimethoxypyrimidine (13223-25-1) → ethyl 4,6-dimethoxy-2-pyrimidinecarboxylate (128276-49-3)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; sodium acetate; at 160 ℃; for 2.5h; under 11250.9 Torr;

DOI:10.1016/S0040-4020(98)01038-2

Reference yield:

2-chloro-4,6-dimethoxypyrimidine (13223-25-1) → ethyl 4,6-dimethoxy-2-pyrimidinecarboxylate (128276-49-3) + 4,6-dimethoxypyrimidine (5270-94-0)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; carbon monoxide; sodium acetate; In ethanol; at 150 ℃; for 3h; under 1125.09 Torr;

DOI:10.1016/S0040-4020(98)01038-2

Reference yield:

→ ethyl 4,6-dimethoxy-2-pyrimidinecarboxylate (128276-49-3)

Guidance literature:

upstream raw materials:

ethanol

carbon monoxide

2-chloro-4,6-dimethoxypyrimidine

Downstream raw materials:

4,6-dimethoxypyrimidine-2-carboxylic acid