2-Ethoxy-4,6-dihydroxypyrimidine

Base Information

• Chemical Name: 2-Ethoxy-4,6-dihydroxypyrimidine
• CAS No.: 61636-08-6
• Molecular Formula: C6H8 N2 O3
• Molecular Weight: 156.141
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID70436610
• Wikidata: Q72471530
• Mol file: 61636-08-6.mol

Synonyms:2-Ethoxy-4,6-dihydroxypyrimidine;61636-08-6;2-ethoxy-4-hydroxy-1H-pyrimidin-6-one;2-ethoxypyrimidine-4,6-diol;2-Ethoxy-6-hydroxy-4(3H)-pyrimidinone;EC 612-185-0;4(3H)-Pyrimidinone,2-ethoxy-6-hydroxy-;SCHEMBL2118007;SCHEMBL21974855;AMY4055;DTXSID70436610;MFCD07787550;AKOS015892480;SB55787;2-Ethoxy-6-hydroxypyrimidin-4(3H)-one;AC-26638;A8539;CS-0437656;FT-0646390;2-cyanoethyl-n,n-diisopropylamidochlorophosphite;2-ethoxy-6-hydroxy-3,4-dihydropyrimidin-4-one;W-203300

Chemical Property of 2-Ethoxy-4,6-dihydroxypyrimidine

Chemical Property:

• Vapor Pressure: 1.9E-06mmHg at 25°C
• Melting Point: >318°C
• Boiling Point: 384.1ºC at 760 mmHg
• PKA: 4.61±0.10(Predicted)
• Flash Point: 186.1ºC
• PSA: 75.47000
• Density: 1.418g/cm3
• LogP: 0.28650
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 156.05349212
• Heavy Atom Count: 11
• Complexity: 232

Purity/Quality:

99.9% ^*data from raw suppliers

2-Ethoxy-4,6-dihydroxypyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 7-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=NC(=CC(=O)N1)O

Technology Process of 2-Ethoxy-4,6-dihydroxypyrimidine

There total 3 articles about 2-Ethoxy-4,6-dihydroxypyrimidine 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: 88.7%

O-ethylisourea hydrogen sulfate + diethyl malonate (105-53-3) → 2-ethoxy-4,6-dihydroxypyrimidine (61636-08-6)

Guidance literature:

O-ethylisourea hydrogen sulfate; With sodium methylate; In methanol; at -5 - 20 ℃; for 0.5h;

diethyl malonate; In methanol; at -5 - 20 ℃; for 6h;

Reference yield:

O-ethyl-isourea hydrochloride (31407-74-6) + diethyl malonate (105-53-3) → 2-ethoxy-4,6-dihydroxypyrimidine (61636-08-6)

Guidance literature:

With hydrogenchloride; sodium ethanolate; In ethanol; water;

Reference yield:

→ 2-ethoxy-4,6-dihydroxypyrimidine (61636-08-6)

Guidance literature:

Malonester, Isoharnstoff;

upstream raw materials:

O-ethyl-isourea hydrochloride

diethyl malonate

Downstream raw materials:

4,6-dichloro-2-ethoxypyrimidine

2-ethoxy-6-methoxy-3H-pyrimidin-4-one

Refernces

• 1、 -. "Pyrimidine (4,6)diyl-bis-(thiono)(thiol)-phosphoric(phosphonic)acid esters". . . Retrieved 2008/06/13.