2-Amino-5-ethyl-6-hydroxypyrimidin-4(3H)-one

Base Information

• Chemical Name: 2-Amino-5-ethyl-6-hydroxypyrimidin-4(3H)-one
• CAS No.: 30201-72-0
• Molecular Formula: C6H9N3O2
• Molecular Weight: 155.15500
• Hs Code.: 2933599090
• European Community (EC) Number: 668-985-5
• Mol file: 30201-72-0.mol

Synonyms:2-Amino-5-ethyl-6-hydroxypyrimidin-4(3H)-one;30201-72-0;2-Amino-5-ethyl-pyrimidine-4,6-diol;2-amino-5-ethyl-4-hydroxy-1H-pyrimidin-6-one;SCHEMBL12496369;HMS1698D13;MFCD18363465;AKOS000767608;AKOS012865147;DS-9034;SB57645;CS-0152547;C74549

Chemical Property of 2-Amino-5-ethyl-6-hydroxypyrimidin-4(3H)-one

Chemical Property:

• Melting Point: 320 °C
• PKA: 7.92±0.10(Predicted)
• PSA: 92.26000
• Density: 1.54±0.1 g/cm3(Predicted)
• LogP: 0.61360
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 155.069476538
• Heavy Atom Count: 11
• Complexity: 255

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-5-ethyl-pyrimidine-4,6-diol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(N=C(NC1=O)N)O

Technology Process of 2-Amino-5-ethyl-6-hydroxypyrimidin-4(3H)-one

There total 2 articles about 2-Amino-5-ethyl-6-hydroxypyrimidin-4(3H)-one 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: 88.0%

guanidine hydrochloride (50-01-1) + ethyl diethyl malonate (133-13-1) → 2-amino-5-ethylpyrimidine-4,6-diol (30201-72-0)

Guidance literature:

guanidine hydrochloride; ethyl diethyl malonate; With sodium; In ethanol; at 20 ℃; for 4h; Inert atmosphere;

In ethanol; for 1h; Inert atmosphere; Reflux;

DOI:10.1007/s00044-014-1018-9

Reference yield: 88.0%

→ 2-amino-5-ethylpyrimidine-4,6-diol (30201-72-0)

Guidance literature:

Reference yield:

2-amino-5-ethylpyrimidine-4,6-diol (30201-72-0) → 4,6-dichloro-5-ethylpyrimidin-2-amine (6343-68-6)

Guidance literature:

Multi-step reaction with 2 steps

1: chloroform / 4 h / Inert atmosphere; Reflux

2: hydrogenchloride / water; ethanol / 2 h / 50 °C

With hydrogenchloride; In ethanol; chloroform; water;

DOI:10.1007/s00044-014-1018-9

upstream raw materials:

guanidine hydrochloride

ethyl diethyl malonate

Downstream raw materials:

4,6-dichloro-5-ethylpyrimidin-2-amine