4-Chloro-2-isopropyl-6-methylpyrimidine

Base Information

• Chemical Name: 4-Chloro-2-isopropyl-6-methylpyrimidine
• CAS No.: 4595-69-1
• Molecular Formula: C8H11 Cl N2
• Molecular Weight: 170.64
• Hs Code.: 2933599090
• European Community (EC) Number: 821-707-8
• DSSTox Substance ID: DTXSID20391285
• Wikidata: Q82188654
• Mol file: 4595-69-1.mol

Synonyms:4-chloro-2-isopropyl-6-methylpyrimidine;4595-69-1;4-chloro-6-methyl-2-propan-2-ylpyrimidine;4-chloro-6-methyl-2-(propan-2-yl)pyrimidine;4-Chloro-2-isopropyl-6-methyl-pyrimidine;Pyrimidine, 4-chloro-6-methyl-2-(1-methylethyl)-;HMS1744D12;SCHEMBL1586144;DTXSID20391285;PJCDNTVCCXJUAC-UHFFFAOYSA-N;AMY27434;MFCD02685656;AKOS000122974;SB55864;4-Chloro-6-methyl-2-isopropylpyrimidine;4-Chloro-2-propan-2-yl-6-methylpyrimidine;CS-0308556;FT-0753005;EN300-12422;A12537;8R-1033;A872306;J-514983;Z119967266

Chemical Property of 4-Chloro-2-isopropyl-6-methylpyrimidine

Chemical Property:

• Vapor Pressure: 0.164mmHg at 25°C
• Boiling Point: 220.8°Cat760mmHg
• Flash Point: 108.4°C
• PSA: 25.78000
• Density: 1.106g/cm³
• LogP: 2.56180
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.0610761
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-2-isopropyl-6-methylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)C(C)C)Cl

Technology Process of 4-Chloro-2-isopropyl-6-methylpyrimidine

There total 3 articles about 4-Chloro-2-isopropyl-6-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: 80.0%

2-isopropyl-6-methyl-4-pyrimidinol (2814-20-2) → 4-chloro-2-isopropyl-6-methylpyrimidine (4595-69-1)

Guidance literature:

With trichlorophosphate; at 70 ℃; for 2h;

DOI:10.3390/molecules16075618

Reference yield:

2-Isopropyl-6-methyl-4(3H)-pyrimidone (2814-20-2) → 4-chloro-2-isopropyl-6-methylpyrimidine (4595-69-1)

Guidance literature:

With trichlorophosphate;

DOI:10.1002/hlca.19570400603

Reference yield:

→ 4-chloro-2-isopropyl-6-methylpyrimidine (4595-69-1)

Guidance literature:

2-Isopropyl-4-methylpyrimidin-6-ol, Phosphoroxychlorid;

DOI:10.1021/jf60146a016

upstream raw materials:

2-Isopropyl-6-methyl-4(3H)-pyrimidone

2-isopropyl-6-methyl-4-pyrimidinol

Downstream raw materials:

4-ethoxy-2-isopropyl-6-methyl-pyrimidine

2-isopropyl-6-methyl-3H-pyrimidine-4-thione

2-isopropyl-6-methyl-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine

N-cyclohexyl-2-isopropyl-6-methylpyrimidin-4-amine