4,6-Dimethyl-2-hydroxypyrimidine

Base Information

• Chemical Name: 4,6-Dimethyl-2-hydroxypyrimidine
• CAS No.: 108-79-2
• Deprecated CAS: 3297-20-9
• Molecular Formula: C6H8N2O
• Molecular Weight: 124.142
• Hs Code.: 29335990
• European Community (EC) Number: 203-617-5
• UNII: HG0CBN4V9F
• DSSTox Substance ID: DTXSID5043762
• Nikkaji Number: J27.912I
• Wikidata: Q27279911
• ChEMBL ID: CHEMBL3706457
• Mol file: 108-79-2.mol

Synonyms:2-hydroxy-4,6-dimethylpyrimidine;HDP-nicarbazin

Chemical Property of 4,6-Dimethyl-2-hydroxypyrimidine

Chemical Property:

• Appearance/Colour: Off-white, light yellow to pink crystalline powder
• Vapor Pressure: 0.082mmHg at 25°C
• Melting Point: 201-205 °C
• Refractive Index: 1.497
• Boiling Point: 314.6 °C at 760 mmHg
• PKA: 10.34±0.10(Predicted)
• Flash Point: 144 °C
• PSA: 46.01000
• Density: 1.17 g/cm³
• LogP: 0.79900
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 124.063662883
• Heavy Atom Count: 9
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

4,6-Dimethyl-2-hydroxypyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-45-37-28

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=O)N1)C
• Uses: 4,6-Dimethyl-2-hydroxypyrimidine is a component of Nicarbazine (N394530), a coccidiostat, which is an antiprotozoal agent that acts upon Coccidia parasites.

Technology Process of 4,6-Dimethyl-2-hydroxypyrimidine

There total 40 articles about 4,6-Dimethyl-2-hydroxypyrimidine 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: 97.0%

urea (57-13-6) + acetylacetone (123-54-6,81235-32-7) → 4,6-dimethyl-2(1H)-pyrimidinone (108-79-2)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 80 ℃; for 24h;

Reference yield: 96.0%

(S)-methyl-2-(4,6-dimethylpyrimidin-2-yloxy)-3-methoxy-3,3-diphenylpropionate (1240470-84-1) → 4,6-dimethyl-2(1H)-pyrimidinone (108-79-2) + ambrisentan (177036-94-1)

Guidance literature:

With potassium hydroxide; In 1,4-dioxane; water; at 80 ℃; for 4h; Reagent/catalyst; Solvent; Inert atmosphere;

DOI:10.1021/acs.oprd.8b00184

Reference yield: 96.0%

poly(methacrylic acid) (79-41-4,25087-26-7,50867-57-7) + Phosphorous acid 4,6-dimethyl-pyrimidin-2-yl ester diisopropyl ester → 4,6-dimethylpirimidin-2-one (108-79-2) + diisopropyl methacryloyl phosphite

Guidance literature:

In diethyl ether; at 35 ℃; for 0.166667h;

DOI:10.1007/BF00952862

upstream raw materials:

2-Amino-4,6-dimethylpyrimidine

4,6-dimethyl-2-methylsulfanyl-pyrimidine

2-benzyloxy-4,6-dimethyl-pyrimidine

urea

Downstream raw materials:

4,6-dimethyl-2-(2-pyridylmethoxy)pyrimidine

4,6-dimethyl-1-(2-pyridylmethyl)pyrimidin-2(1H)-one

Acetic acid 4,6-dimethyl-pyrimidin-2-yl ester

Refernces

• 1、 Reznik,Raskurov. "-". . . Retrieved 1969.
• 2、 Ghosh, Swadesh,Singharoy, Dipti,Dhara, Anamika,Naskar, Jnan Prakash,Bhattacharya, Subhash Chandra. "Nonionic Surfactants as Potential Carriers of a Synthesized Pyrimidine Derivative: Spectroscopic and Quantum Chemical Investigations". . p. 2695 - 2701. Retrieved 2018.
• 3、 -. "Method for synthesizing phenol or derivative thereof in aqueous phase by photocatalytic one-pot method". Paragraph 0032-0033; 0079-0080; 0085-0106. . Retrieved 2020/12/08.