4,5,6-Trichloro-2-methylpyrimidine

Base Information

• Chemical Name: 4,5,6-Trichloro-2-methylpyrimidine
• CAS No.: 1780-28-5
• Molecular Formula: C5H3Cl3N2
• Molecular Weight: 197.451
• Hs Code.: 2933599090
• European Community (EC) Number: 928-116-5
• NSC Number: 26540
• DSSTox Substance ID: DTXSID20170411
• Wikidata: Q83040328
• ChEMBL ID: CHEMBL1993670
• Mol file: 1780-28-5.mol

Synonyms:4,5,6-Trichloro-2-methylpyrimidine;1780-28-5;4,5,6-trichloro-2-methyl-pyrimidine;NSC26540;NSC 26540;2-Methyl-4,6-trichloropyrimidine;trichloro methylpyrimidine;SCHEMBL376722;CHEMBL1993670;DTXSID20170411;BAA78028;2-Methyl-4,5,6-trichloropyrimidine;MFCD12405315;NSC-26540;Pyrimidine,5,6-trichloro-2-methyl-;AKOS015851267;LE-0732;SB56181;NCI60_002129;CS-0308093;FT-0682698;EN300-107340;A881426;J-514061;Z1255428565

Chemical Property of 4,5,6-Trichloro-2-methylpyrimidine

Chemical Property:

• Vapor Pressure: 0.029mmHg at 25°C
• Boiling Point: 253.657°C at 760 mmHg
• Flash Point: 131.747°C
• PSA: 25.78000
• Density: 1.542g/cm³
• LogP: 2.74520
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 195.936181
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%min ^*data from raw suppliers

4,5,6-Trichloro-2-methyl-pyrimidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,5,6-Trichloro-2-methylpyrimidine

There total 1 articles about 4,5,6-Trichloro-2-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:

→ 2-methyl-4,5,6-trichloropyrimidine (1780-28-5)

Guidance literature:

5-Chlor-2-methyl-pyrimidin-diol (4,6), POCl3 (12h, Δ; Ausb. 92percent);

DOI:10.1021/jo01065a045

Reference yield: 27.0%

5-[4-[[4-(trifluoromethyl)-2-pyridyl]oxy]phenyl]pent-4-yn-2-amine + 2-methyl-4,5,6-trichloropyrimidine (1780-28-5) → 5,6-dichloro-2-methyl-N-[1-methyl-4-[4-[[4-(trifluoromethyl)-2-pyridyl]oxy]phenyl]but-3-ynyl]pyrimidin-4-amine

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 20 - 80 ℃; for 5h;

Reference yield: 25.0%

PYRIMIDINE (289-95-2,25247-63-6) + 2-methyl-4,5,6-trichloropyrimidine (1780-28-5) → 4,5-dichloro-6-methoxy-2-methylpyrimidine (126804-42-0)

Guidance literature:

In methanol; water; sodium methylate;

Downstream raw materials:

4,5-dichloro-6-methoxy-2-methylpyrimidine