2,4-Dihydroxy-5,6-dimethylpyrimidine

Base Information

• Chemical Name: 2,4-Dihydroxy-5,6-dimethylpyrimidine
• CAS No.: 26305-13-5
• Molecular Formula: C6H8N2O2
• Molecular Weight: 140.142
• European Community (EC) Number: 247-601-6
• NSC Number: 163903,49017
• UNII: 2SHU0QC17F
• DSSTox Substance ID: DTXSID60180918
• Nikkaji Number: J96.652E
• Wikidata: Q72471919
• ChEMBL ID: CHEMBL1650610
• Mol file: 26305-13-5.mol

Synonyms:2,4-Dihydroxy-5,6-dimethylpyrimidine;26305-13-5;5,6-Dimethyluracil;5,6-dimethylpyrimidine-2,4-diol;6-Methylthymine;5,6-Dimethyl-2,4(1H,3H)-pyrimidinedione;Uracil, 5,6-dimethyl-;2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl-;5,6-dimethyl-1H-pyrimidine-2,4-dione;EINECS 247-601-6;NSC 163903;2SHU0QC17F;2,4(1H,3H)-Pyrimidinedione, 5,6-dimethyl- (9CI);NSC-49017;NSC-163903;5,6-dimethylpyrimidine-2,4(1H,3H)-dione;dimethylpyrimidine-2,4-diol;dimethyl uracil;NSC49017;4,5-Dimethyluracil;Cc1c(C)nc(O)nc1O;UNII-2SHU0QC17F;SCHEMBL1258640;CHEMBL1650610;DTXSID60180918;5,6-Dimethyl-2,4-pyrimidinediol;AMY16074;MFCD00010708;NSC163903;2.4-Dihydroxy-5.6-dimethylpyrimidine;AKOS015842304;AKOS025212978;AKOS026732158;CS-W005613;DS-1022;GS-5802;SB57534;LS-158642;D1136;FT-0638594;2,4(1H,3H)-Pyrimidinedione,5,6-dimethyl-;2,4-Dihydroxy-5,6-dimethylpyrimidine, 97%;5,6-Dimethyl-2,4(1H,3H)-pyrimidinedione #;A877274;J-016372

Chemical Property of 2,4-Dihydroxy-5,6-dimethylpyrimidine

Chemical Property:

• Appearance/Colour: white to almost white crystalline powder
• Vapor Pressure: 2.88E-07mmHg at 25°C
• Melting Point: 297-300 °C (dec.)(lit.)
• Refractive Index: 1.481
• Boiling Point: 408.8 °C at 760 mmHg
• PKA: 10.01±0.10(Predicted)
• Flash Point: 24/25
• PSA: 65.72000
• Density: 1.16 g/cm³
• LogP: -0.32000
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: almost transparency in hot Water
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 230

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4-Dihydroxy-5,6-dimethylpyrimidine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(NC(=O)NC1=O)C
• Uses: 2,4-Dihydroxy-5,6-dimethylpyrimidine was used in the synthesis of mono and polyatomic titanium derivatives. It was used as staring reagent in the synthesis of 2-(4-fluorobenzoyl) substituted pyrimidine derivatives.

Technology Process of 2,4-Dihydroxy-5,6-dimethylpyrimidine

There total 18 articles about 2,4-Dihydroxy-5,6-dimethylpyrimidine 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: 86.0%

2,4-Bis-methanesulfonyl-5,6-dimethyl-pyrimidine (179806-23-6) → 5,6-dimethyluracil (26305-13-5)

Guidance literature:

With sodium hydroxide; for 1h; Heating;

DOI:10.1016/0040-4020(96)00368-7

Reference yield: 85.0%

2-acetylpropanoic acid ethyl ester (609-14-3) + urea (57-13-6) → 5,6-dimethyluracil (26305-13-5)

Guidance literature:

With boron trifluoride diethyl etherate; at 135 ℃; for 0.0833333h; Neat (no solvent); Microwave irradiation;

DOI:10.1016/j.tetlet.2012.03.056

Reference yield: 83.0%

→ 5,6-dimethyluracil (26305-13-5)

Guidance literature:

With oxone; In 1,4-dioxane; water; Heating;

DOI:10.1016/S0040-4039(02)02380-8

upstream raw materials:

5,6-dimethyl-2-thiouracil

2-ethylmercapto-5,6-dimethyl-3H-pyrimidin-4-one

5-acetoxymethyl-6-methyl-1H-pyrimidine-2,4-dione

5,6-dimethyl-2-methoxy-4(3H)-pyrimidinone

Downstream raw materials:

1,3,5,6-tetramethyluracil

Refernces

• 1、 -. "DIAMINOPYRIMIDINES USEFUL AS INHIBITORS OF THE HUMAN RESPIRATORY SYNCYTIAL VIRUS (RSV)". Page/Page column 40. . Retrieved 2013/08/28.
• 2、 Petricci, Elena,Renzulli, Michela,Radi, Marco,Corelli, Federico,Botta, Maurizio. "Solid-phase synthesis (SPS) of substituted uracils via Oxone cleavage methodology". . p. 9667 - 9670. Retrieved 2007/10/03.