2,4-Dichloro-5-methylpyrimidine

Base Information

• Chemical Name: 2,4-Dichloro-5-methylpyrimidine
• CAS No.: 1780-31-0
• Molecular Formula: C5H4Cl2N2
• Molecular Weight: 163.006
• Hs Code.: 29335990
• European Community (EC) Number: 217-227-8
• NSC Number: 37532
• UNII: G2W3V2TE7S
• DSSTox Substance ID: DTXSID9061962
• Nikkaji Number: J203.177I
• Wikidata: Q72466939
• Mol file: 1780-31-0.mol

Synonyms:2,4-Dichloro-5-methylpyrimidine;1780-31-0;Pyrimidine, 2,4-dichloro-5-methyl-;2,4-dichloro-5-methyl-pyrimidine;5-Methyl-2,4-dichloropyrimidine;2,4-dichloro-5-methyl pyrimidine;2, 4-Dichloro-5-methylpyrimidine;MFCD00023197;C5H4Cl2N2;G2W3V2TE7S;EINECS 217-227-8;NSC 37532;NSC-37532;NSC37532;UNII-G2W3V2TE7S;SCHEMBL56192;2,4 dichloro5-methylpyrimidine;2,4dichloro-5-methylpyrimidine;2,4-dichloro-5-methylpyrimdine;DTXSID9061962;2 4-dichloro-5-methylpyrimidine;Pyrimidine,4-dichloro-5-methyl-;2,4,-dichloro-5-methylpyrimidine;2,4-dichloro-5- methylpyrimidine;BCP21042;pyrimidine, 2,4-dichloro-5-methyl;BBL103913;STL557723;AKOS005255373;AC-2671;CS-W002132;PB17064;PS-3984;2,4-Dichloro-5-methylpyrimidine, 98%;AM20090055;D3613;FT-0600947;EN300-97035;A19574;Q-102310;Z1255386798;Pyrimidine, 2,4-dichloro-5-methyl- pound>>5-Methyl-2,4-dichloropyrimidine

Chemical Property of 2,4-Dichloro-5-methylpyrimidine

Chemical Property:

• Appearance/Colour: white to off white low melting solid
• Vapor Pressure: 0.079mmHg at 25°C
• Melting Point: 26-28 °C(lit.)
• Refractive Index: 1.551
• Boiling Point: 234.9 °C at 760 mmHg
• PKA: -2.44±0.29(Predicted)
• Flash Point: 118.5 °C
• PSA: 25.78000
• Density: 1.404 g/cm³
• LogP: 2.09180
• Storage Temp.: −20°C
• Sensitive.: Lachrymatory
• Solubility.: Soluble in chloroform, ether, ethyl acetate and toluene
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.9751535
• Heavy Atom Count: 9
• Complexity: 99

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dichloro-5-methylpyrimidine|**Toxic, Stench** ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CN=C(N=C1Cl)Cl
• Uses: 2,4-Dichloro-5-methylpyrimidine, is used in the synthesis of (2-chloro-6-methyl-pyrimidin-4-yl)-(2,3-dihydro-benzothiazol-6-yl)-amine. It can react with piperidineto produce 2-chloro-5-methyl-4-piperidin-1-yl-pyrimidine. This reaction will need solvent dioxane.

Technology Process of 2,4-Dichloro-5-methylpyrimidine

There total 4 articles about 2,4-Dichloro-5-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: 93.0%

2,4-dihydroxy-5-methylpyrimidine (65-71-4,80289-22-1) → 2,6-dichloro-5-methylpyrimidine (1780-31-0)

Guidance literature:

With dmap; thionyl chloride; bis(trichloromethyl) carbonate; for 8h; Reflux; Green chemistry;

DOI:10.1021/acs.oprd.9b00407

Reference yield: 93.0%

→ 2,6-dichloro-5-methylpyrimidine (1780-31-0)

Guidance literature:

With dmap; thionyl chloride; bis(trichloromethyl) carbonate; at 65 - 70 ℃;

Reference yield: 92.0%

thymin (65-71-4,28806-14-6,691841-57-3) → 2,6-dichloro-5-methylpyrimidine (1780-31-0)

Guidance literature:

With 2,3-Dimethylaniline; trichlorophosphate; 1.) 25 deg C, 5 min, 2.) reflux, 20 h;

DOI:10.1016/0022-1139(95)03386-6

upstream raw materials:

2,4-dihydroxy-5-methylpyrimidine

thymin

Downstream raw materials:

2,4-Dimethoxy-5-methylpyrimidine

2,4-diethoxy-5-methylpyrimidine

5-methylpyrimidine

5-Methyl-tetrahydropyrimidin