4-Methylpyrimidine

Base Information

• Chemical Name: 4-Methylpyrimidine
• CAS No.: 3438-46-8
• Molecular Formula: C5H6N2
• Molecular Weight: 94.116
• Hs Code.: 29335995
• European Community (EC) Number: 222-344-2
• UNII: 3D1R4OMX4N
• DSSTox Substance ID: DTXSID5063027
• Nikkaji Number: J102.050A
• Wikidata: Q63409545
• Mol file: 3438-46-8.mol

Synonyms:4-METHYLPYRIMIDINE;3438-46-8;Pyrimidine, 4-methyl-;4-methyl-pyrimidine;4-Methyl Pyrimidine;MFCD00006115;3D1R4OMX4N;EINECS 222-344-2;4-Methylpyrimidine, 97%;UNII-3D1R4OMX4N;DTXSID5063027;BCP32213;CS-M0723;AM9947;BBL101590;STL555386;AKOS005146203;PB17038;BP-20350;SY009308;A6058;FT-0619107;M0356;EN300-73342;Q-101884;Q63409545;F0001-1003

Chemical Property of 4-Methylpyrimidine

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 7.14mmHg at 25°C
• Melting Point: 32oC
• Refractive Index: n20/D 1.496(lit.)
• Boiling Point: 142 °C at 760 mmHg
• PKA: 2.02±0.10(Predicted)
• Flash Point: 40.6 °C
• PSA: 25.78000
• Density: 1.021 g/cm³
• LogP: 0.78500
• Storage Temp.: Flammables area
• Water Solubility.: miscible
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 94.053098200
• Heavy Atom Count: 7
• Complexity: 54

Purity/Quality:

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

4-Methylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, F, Xi
• Hazard Codes: T,F,Xi
• Statements: 10-61
• Safety Statements: 16-53-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyrimidines
• Canonical SMILES: CC1=NC=NC=C1
• Uses: 4-Methylpyrimidine was used in the synthesis of crystalline trans-[RuCl(3)(NO)L(2)] complexes. 4-Methylpyrimidine was also used to bridge dinuclear oxovanadium(IV) complexes.

Technology Process of 4-Methylpyrimidine

There total 20 articles about 4-Methylpyrimidine 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: 79.0%

acetylacetaldehyde dimethyl acetal (5436-21-5) + formamide (77287-34-4,77287-35-5,60100-09-6) → 4-Methylpyrimidine (3438-46-8) + methanol (67-56-1) + ammonium formate (540-69-2)

Guidance literature:

at 190 ℃; for 3.5h;

Reference yield: 53.0%

acetylacetaldehyde dimethyl acetal (5436-21-5) + formamide (77287-34-4,77287-35-5,60100-09-6) → 4-Methylpyrimidine (3438-46-8)

Guidance literature:

With ammonium chloride; In water; at 40 - 175 ℃; for 9h;

DOI:10.1021/jo502865f

Reference yield: 13.0%

4-Benzyl-pyrimidine 3-oxide (90210-55-2) → PYRIMIDINE (289-95-2,25247-63-6) + 4-Methylpyrimidine (3438-46-8) + 4-benzylpyrimidine (64660-82-8) + pyrimido-[1,6-a]indole (23989-28-8)

Guidance literature:

at 800 ℃; under 0.0001 - 0.0006 Torr;

DOI:10.1055/s-1983-30619

upstream raw materials:

2-chloro-4-methylpyrimidine

4-methyl-6-chloropyrimidine

2,4-dichloro-6-methylpyrimidine

2-hydrazinyl-4-methylpyrimidine

Downstream raw materials:

4-(2-hydroxyethyl)pyrimidine

4-trans-styrylpyrimidine

4-[2-(4-(N,N-dimethylamino)phenyl)vinyl]pyrimidine

pyrimidine-4-carboxylic acid

Refernces

• 1、 Rodríguez-Jiménez, Santiago,Barltrop, Alexis S.,White, Nicholas G.,Feltham, Humphrey L. C.,Brooker, Sally. "Solvent Polarity Predictably Tunes Spin Crossover T1/2 in Isomeric Iron(II) Pyrimidine Triazoles". . p. 6266 - 6282. Retrieved 2018/06/14.
• 2、 -. "Process for the preparation of 4-alkyl pyrimidines". Page 3. . Retrieved 2008/06/13.