2-(Pyrimidin-2-yl)pyrimidine-5-carboxylic acid

Base Information

• Chemical Name: 2-(Pyrimidin-2-yl)pyrimidine-5-carboxylic acid
• CAS No.: 933191-25-4
• Molecular Formula: C₉H₆N₄O₂
• Molecular Weight: 202.172
• Hs Code.: 2933599090
• European Community (EC) Number: 848-970-1
• DSSTox Substance ID: DTXSID60694267
• Wikidata: Q82623312
• Mol file: 933191-25-4.mol

Synonyms:2-(pyrimidin-2-yl)pyrimidine-5-carboxylic acid;933191-25-4;[2,2'-BIPYRIMIDINE]-5-CARBOXYLIC ACID;2-pyrimidin-2-ylpyrimidine-5-carboxylic acid;SCHEMBL3219936;DTXSID60694267;WULZRCCJSITGMR-UHFFFAOYSA-N;MFCD16869027;AKOS012049799;ME-0726;SB55531;[2,2']bipyrimidinyl-5-carboxylic acid;CS-0134609;FT-0718039;2-(pyrimidin-2-yl)pyrimidine-5-carboxylicacid;EN300-768311;J-502728

Chemical Property of 2-(Pyrimidin-2-yl)pyrimidine-5-carboxylic acid

Chemical Property:

• Melting Point: 300～301℃
• Boiling Point: 553.7±42.0 °C(Predicted)
• PKA: 2.21±0.10(Predicted)
• PSA: 88.86000
• Density: 1.442±0.06 g/cm3(Predicted)
• LogP: 0.63180
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 202.04907545
• Heavy Atom Count: 15
• Complexity: 222

Purity/Quality:

97% ^*data from raw suppliers

2-(Pyrimidin-2-yl)pyrimidine-5-carboxylic acid >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(N=C1)C2=NC=C(C=N2)C(=O)O

Technology Process of 2-(Pyrimidin-2-yl)pyrimidine-5-carboxylic acid

There total 3 articles about 2-(Pyrimidin-2-yl)pyrimidine-5-carboxylic acid 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: 89.0%

bipyrimidine ethyl ester (1068977-22-9) → bipyrimidine carboxylic acid (933191-25-4)

Guidance literature:

bipyrimidine ethyl ester; With sodium hydroxide; In water; at 20 ℃; for 3h;

With hydrogenchloride; In water;

DOI:10.1021/acs.cgd.7b01657

Reference yield:

2-cyanopyrimidine (14080-23-0) → bipyrimidine carboxylic acid (933191-25-4)

Guidance literature:

Multi-step reaction with 3 steps

1: methanol / 16 h / 80 °C

2: pyridine / 16 h / 70 °C / Inert atmosphere

3: sodium hydroxide / water / 3 h / 20 °C

With pyridine; sodium hydroxide; In methanol; water;

DOI:10.1021/acs.cgd.7b01657

Reference yield:

2-amidinopyrimidine acetate (312613-82-4) → bipyrimidine carboxylic acid (933191-25-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 16 h / 70 °C / Inert atmosphere

2: sodium hydroxide / water / 3 h / 20 °C

With pyridine; sodium hydroxide; In water;

DOI:10.1021/acs.cgd.7b01657

upstream raw materials:

bipyrimidine ethyl ester

2-cyanopyrimidine

2-amidinopyrimidine acetate

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