5,6-Dihydro-6-methyluracil

Base Information

• Chemical Name: 5,6-Dihydro-6-methyluracil
• CAS No.: 2434-49-3
• Molecular Formula: C5H8N2O2
• Molecular Weight: 128.131
• Hs Code.: 2933599090
• European Community (EC) Number: 219-421-8
• NSC Number: 44127
• DSSTox Substance ID: DTXSID701263525
• Nikkaji Number: J216.074I
• Wikidata: Q106902795
• Mol file: 2434-49-3.mol

Synonyms:6-methyldihydrouracil;dihydro-6-methyluracil

Chemical Property of 5,6-Dihydro-6-methyluracil

Chemical Property:

• Melting Point: 218-220 °C
• Refractive Index: 1.452
• Boiling Point: 314.7 °C at 760 mmHg
• PKA: 12.16±0.40(Predicted)
• Flash Point: 191.4 °C
• PSA: 58.20000
• Density: 1.149 g/cm³
• LogP: 0.26200
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.058577502
• Heavy Atom Count: 9
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

5,6-Dihydro-6-methyluracil ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)NC(=O)N1

Technology Process of 5,6-Dihydro-6-methyluracil

There total 13 articles about 5,6-Dihydro-6-methyluracil 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: 92.0%

C11H12N2O2 → 5,6-Dihydro-6-methyluracil (2434-49-3)

Guidance literature:

With hydrogenchloride; In methanol;

DOI:10.1039/c5ra08792a

Reference yield: 75.0%

5,6-dihydro-6-(S)-(1,3-dithian-2-yl)uracil (73080-27-0,76222-45-2) → 5,6-Dihydro-6-methyluracil (2434-49-3)

Guidance literature:

With nickel; In ethanol; N,N-dimethyl-formamide; at 80 ℃; for 2h;

DOI:10.1016/S0008-6215(00)83658-7

Reference yield: 60.0%

→ 5,6-Dihydro-6-methyluracil (2434-49-3)

Guidance literature:

upstream raw materials:

2-butenoic acid

urea

ethyl crotonate

3-aminobutyric acid

Downstream raw materials:

6-Methyluracil

3-aminobutyric acid

Refernces

• 1、 Pair, Etienne,Levacher, Vincent,Brière, Jean-Fran?ois. "Modified multicomponent Biginelli-Atwal reaction towards a straightforward construction of 5,6-dihydropyrimidin-4-ones". . p. 46267 - 46271. Retrieved 2015.
• 2、 DeFrees, Shawn A.,Reddy, Kalakota S.,Cassady, John M.. "A SELECTIVE AND EFFICIENT METHOD FOR THE DEPROTECTION OF N-BENZYLOXYMETHYL (BOM) PROTECTING GROUPS FROM PYRIMIDINE AND DIHYDROPYRIMIDINE RING SYSTEMS". . p. 213 - 220. Retrieved 2007/10/02.