6-Amino-5-(ethylamino)-1-methyl-2,4(1H,3H)-pyrimidinedione

Base Information

• Chemical Name: 6-Amino-5-(ethylamino)-1-methyl-2,4(1H,3H)-pyrimidinedione
• CAS No.: 131598-62-4
• Molecular Formula: C7H12 N4 O2
• Molecular Weight: 184.2
• DSSTox Substance ID: DTXSID401191086
• Mol file: 131598-62-4.mol

Synonyms:6-Amino-5-(ethylamino)-1-methyl-2,4(1H,3H)-pyrimidinedione;DTXSID401191086;AKOS008961994;6-Amino-5-(ethylamino)-1-methylpyrimidine-2,4(1H,3H)-dione

Chemical Property of 6-Amino-5-(ethylamino)-1-methyl-2,4(1H,3H)-pyrimidinedione

Chemical Property:

• Melting Point: 168-170℃
• Refractive Index: 1.462
• Boiling Point: 225.8°Cat760mmHg
• PKA: 9.80±0.40(Predicted)
• Flash Point: 90.3°C
• PSA: 63.32000
• Density: 1.035g/cm³
• LogP: 1.14470
• Water Solubility.: 41.2 g/L (50℃)
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 184.09602564
• Heavy Atom Count: 13
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC1=C(N(C(=O)NC1=O)C)N

Technology Process of 6-Amino-5-(ethylamino)-1-methyl-2,4(1H,3H)-pyrimidinedione

There total 2 articles about 6-Amino-5-(ethylamino)-1-methyl-2,4(1H,3H)-pyrimidinedione 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: 55.0%

6-amino-5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione (14094-37-2) + ethylamine (75-04-7,85404-22-4) → 6-Amino-5-ethylamino-1-methyl-1H-pyrimidine-2,4-dione (131598-62-4) + C12H17N7O4

Guidance literature:

In water; at 65 ℃; for 3h;

Reference yield:

6-amino-1-methyluracil (2434-53-9) → 6-Amino-5-ethylamino-1-methyl-1H-pyrimidine-2,4-dione (131598-62-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 83 percent / sodium acetate trihydrate, Br₂ / acetic acid / 2 h / from 90 deg C to 20 deg C

2: 55 percent / H₂O / 3 h / 65 °C

With bromine; sodium acetate; In water; acetic acid;

Reference yield: 56.0%

6-Amino-5-ethylamino-1-methyl-1H-pyrimidine-2,4-dione (131598-62-4) → 7-Ethyl-3-methyl-8-phenyl-3,7-dihydro-purine-2,6-dione (131598-90-8)

Guidance literature:

With toluene-4-sulfonic acid; In N,N-dimethyl-formamide; at 60 ℃; for 6h;

upstream raw materials:

6-amino-5-bromo-1-methylpyrimidine-2,4(1H,3H)-dione

ethylamine

6-amino-1-methyluracil

Downstream raw materials:

7-Ethyl-3-methyl-8-phenyl-3,7-dihydro-purine-2,6-dione

Refernces