4,6-Dimethylpyrimidine

Base Information

• Chemical Name: 4,6-Dimethylpyrimidine
• CAS No.: 1558-17-4
• Molecular Formula: C6H8N2
• Molecular Weight: 108.143
• Hs Code.: 29335990
• European Community (EC) Number: 216-314-8
• NSC Number: 60686
• UNII: 95N99D3VHB
• DSSTox Substance ID: DTXSID2061777
• Nikkaji Number: J110.359H
• Wikidata: Q27271806
• Mol file: 1558-17-4.mol

Synonyms:4,6-DIMETHYLPYRIMIDINE;1558-17-4;4,6-Dimethyl-pyrimidine;Pyrimidine, 4,6-dimethyl-;MFCD00006116;UNII-95N99D3VHB;95N99D3VHB;EINECS 216-314-8;NSC 60686;NSC-60686;NSC60686;4,6-dimethyl-pyrmidine;SCHEMBL161508;DTXSID2061777;AKOS005169878;CS-W001988;DS-1349;PB24534;AC-26661;AM20080404;D4282;FT-0617269;EN300-82512;4,6-Dimethylpyrimidine, >=93%, technical grade;J-650334;Q-102030;Q27271806

Chemical Property of 4,6-Dimethylpyrimidine

Chemical Property:

• Appearance/Colour: clear yellowish liquid after melting
• Vapor Pressure: 4.17mmHg at 25°C
• Melting Point: 25°C
• Refractive Index: n20/D 1.490(lit.)
• Boiling Point: 154 °C at 760 mmHg
• PKA: 3.04±0.17(Predicted)
• Flash Point: 56 °C
• PSA: 25.78000
• Density: 0.98 g/cm³
• LogP: 1.09340
• Storage Temp.: Flammables area
• Water Solubility.: Soluble in water at 20°C.
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 108.068748264
• Heavy Atom Count: 8
• Complexity: 64.9

Purity/Quality:

99.5% ^*data from raw suppliers

4,6-Dimethylpyrimidine >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:
• Hazard Codes: R10:
• Statements: 10
• Safety Statements: 23-24/25-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=NC=N1)C
• Uses: 4,6-Dimethylpyrimidine is used to produce (6-methyl-pyrimidin-4-yl)-pyruvic acid ethyl ester. It is used as pharmaceutical intermediate. It is also used in agrochemical and dyestuff field.

Technology Process of 4,6-Dimethylpyrimidine

There total 20 articles about 4,6-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: 72.0%

2,5-dimethyl-pyrazine (123-32-0) → 2,5-dimethylpyrimidine (22868-76-4,144384-91-8) + 4,6-dimethylpyrimidine (1558-17-4)

Guidance literature:

for 0.0833333h; under 1 - 1.5 Torr; Irradiation;

DOI:10.24820/ark.5550190.p010.267

Reference yield: 65.0%

N-Benzyl-4,6-dimethylpyrimidinium bromide (82619-54-3) → 4,6-dimethylpyrimidine (1558-17-4)

Guidance literature:

With ammonia; at -33 ℃; for 2h; Product distribution; Mechanism;

Reference yield: 65.0%

N-(p-nitrophenyl)-4,6-dimethylpyrimidinium bromide (82619-55-4) → 4,6-dimethylpyrimidine (1558-17-4) + p-nitrobenzylamine (7409-30-5)

Guidance literature:

With ammonia; at -33 ℃; for 2h; Product distribution; Mechanism;

upstream raw materials:

2-chloro-4,6-dimethylpyrimidine

methanol

4,6-dimethyl-2-pyrimidinecarbonitrile

4,6-dimethyl-2-pyrimidinecarboxylic acid

Downstream raw materials:

4,6-bis(bromomethyl)pyrimidine

(E,E)-4,6-bis(4-bromostyryl)pyrimidine

4,4′-(1E,1′E)-2,2′-(pyrimidine-4,6-diyl)bis(ethene-2,1-diyl)bis(N,N-dimethylaniline)

(E)-4-(4-dimethylaminostyryl)-6-methylpyrimidine

Refernces

• 1、 Katritzky, Alan R.,Yousaf, Taher I.. "A C-13 nuclear magnetic resonance study of the pyrimidine synthesis by the reactions of 1,3-dicarbonyl compounds with amidines and ureas". . p. 2087 - 2093. Retrieved 2007/10/02.
• 2、 Dlugosz, A.,van der Plas, H.C.,van Veldhuizen, A.. "On the Reactivity of N-Benzylpyrimidinium Salts with Nitrogen Nucleophiles (1,2)". . p. 373 - 375. Retrieved 2007/10/02.