Methyl 4-hydroxypyrimidine-5-carboxylate

Base Information

• Chemical Name: Methyl 4-hydroxypyrimidine-5-carboxylate
• CAS No.: 4774-35-0
• Molecular Formula: C6H6N2O3
• Molecular Weight: 154.125
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID00471594
• Wikidata: Q72491469
• Mol file: 4774-35-0.mol

Synonyms:4774-35-0;methyl 4-hydroxypyrimidine-5-carboxylate;4-Hydroxypyrimidine-5-carboxylic acid methyl ester;4-Hydroxy-pyrimidine-5-carboxylic acid methyl ester;methyl 6-oxo-1,6-dihydropyrimidine-5-carboxylate;methyl 6-oxo-1H-pyrimidine-5-carboxylate;MFCD01632117;5-Pyrimidinecarboxylic acid, 1,4-dihydro-4-oxo-, methyl ester;4-Hydroxy-pyrimidine-5-carboxylicacidmethylester;SCHEMBL1465185;SCHEMBL10194200;DTXSID00471594;KFWOVXLWAGKILN-UHFFFAOYSA-N;HMS3435P21;AMY10996;AKOS005745456;AKOS015831160;AC-2412;BS-3848;CS-W002799;methyl4-hydroxypyrimidine-5-carboxylate;PS-8892;SB57744;SY018263;A7300;BB 0238900;FT-0648590;EN300-72398;W-202837;4-Hydroxy-pyrimidine-5-carboxylic acid methyl ester;4-Hydroxy-5-(methoxycarbonyl)pyrimidine, 4-Hydroxy-5-(methoxycarbonyl)-1,3-diazine

Chemical Property of Methyl 4-hydroxypyrimidine-5-carboxylate

Chemical Property:

• Vapor Pressure: 0.00931mmHg at 25°C
• Refractive Index: 1.58
• Boiling Point: 256.9 °C at 760 mmHg
• PKA: 7.62±0.40(Predicted)
• Flash Point: 109.2 °C
• PSA: 72.31000
• Density: 1.399 g/cm³
• LogP: -0.03120
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 154.03784206
• Heavy Atom Count: 11
• Complexity: 255

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl4-hydroxypyrimidine-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CN=CNC1=O
• Uses: 4-Hydroxypyrimidine-5-carboxylic acid methyl ester is used as building block in chemical synthesis Attributes Development Product Contact.

Technology Process of Methyl 4-hydroxypyrimidine-5-carboxylate

There total 3 articles about Methyl 4-hydroxypyrimidine-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:

Dimethyl oxalate (553-90-2) + methyl malonamate (51513-29-2) → 4-Hydroxy-5-methoxycarbonyl-pyrimidin (4774-35-0)

Guidance literature:

With hydrogenchloride; sodium methylate; In methanol; 1,2-dimethoxyethane; HCl-saturated methanol;

Reference yield:

dimethyl (methoxymethylene)malonate (22398-14-7) + formamidine (463-52-5) → methyl 6-oxo-1,6-dihydropyrimidine-5-carboxylate (4774-35-0)

Guidance literature:

With sodium methylate; In methanol; for 7h; Inert atmosphere; Reflux;

Reference yield:

→ 4-Hydroxy-5-methoxycarbonyl-pyrimidin (4774-35-0)

Guidance literature:

Tris-formamino-methan, Malonsaeure-dimethylester, Toluol-sulfonsaeure-(4), 180grad;

upstream raw materials:

Dimethyl oxalate

methyl malonamate

dimethyl (methoxymethylene)malonate

formamidine

Downstream raw materials:

C₁₅H₁₁F₂N₃O₂

1-(3,4-difluorobenzyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid

C₂₈H₂₆F₂N₆O₃

C₃₀H₂₉F₂N₇O₃

Refernces

• 1、 -. "Process for preparing substituted pyrimidine derivatives". . . Retrieved 2008/06/13.