2-Chloro-4,6-dimethylpyrimidine

Base Information

• Chemical Name: 2-Chloro-4,6-dimethylpyrimidine
• CAS No.: 4472-44-0
• Molecular Formula: C6H7ClN2
• Molecular Weight: 142.588
• Hs Code.: 29335990
• European Community (EC) Number: 624-997-2
• NSC Number: 49016
• UNII: XWF9HK9FMS
• DSSTox Substance ID: DTXSID90196284
• Nikkaji Number: J85.919B
• Wikidata: Q72449620
• Mol file: 4472-44-0.mol

Synonyms:2-Chloro-4,6-dimethylpyrimidine;4472-44-0;PYRIMIDINE, 2-CHLORO-4,6-DIMETHYL-;2-chloro-4,6-dimethyl-pyrimidine;XWF9HK9FMS;MFCD00023199;NSC 49016;BRN 0110697;4,6-dimethyl-2-chloropyrimidine;NSC-49016;5-23-05-00401 (Beilstein Handbook Reference);NSC49016;UNII-XWF9HK9FMS;SCHEMBL390428;2-chlor-4,6-dimethylpyrimidine;DTXSID90196284;BBL025788;STL300739;AKOS000111361;AB01348;CS-W007770;PS-3423;2-Chloro-4,6-dimethylpyrimidine, 97%;AC-26654;AM100829;BP-11283;SY013814;LS-134909;A7100;BB 0219309;C2199;FT-0635318;EN300-28793;AF-399/25039008;Q-200256;F2130-0005;Z235362239

Chemical Property of 2-Chloro-4,6-dimethylpyrimidine

Chemical Property:

• Appearance/Colour: white crystal
• Vapor Pressure: 0.211mmHg at 25°C
• Melting Point: 34-36 °C
• Refractive Index: 1,428
• Boiling Point: 216 °C at 760 mmHg
• PKA: 0.09±0.30(Predicted)
• Flash Point: 104.8 °C
• PSA: 25.78000
• Density: 1.184 g/cm³
• LogP: 1.74680
• Storage Temp.: 2-8°C
• Solubility.: Methanol
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 142.0297759
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

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

2-Chloro-4,6-dimethylpyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 20/21/22-36/37/38-22
• Safety Statements: 26-36-37

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyrimidines
• Canonical SMILES: CC1=CC(=NC(=N1)Cl)C
• Uses: 2-Chloro-4,6-dimethylpyrimidine is a chlorinated pyrimidine with antiviral activity.

Technology Process of 2-Chloro-4,6-dimethylpyrimidine

There total 19 articles about 2-Chloro-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: 91.0%

4,6-dimethyl-2-hydroxy-pyrimidine hydrochloride (34289-60-6) → 2-chloro-4,6-dimethylpyrimidine (4472-44-0)

Guidance literature:

With trichlorophosphate; for 10h; Inert atmosphere; Reflux;

DOI:10.1371/journal.pone.0188212

Reference yield: 57.0%

→ 2-chloro-4,6-dimethylpyrimidine (4472-44-0) + 2-chloro-4,6-dimethoxypyrimidine (13223-25-1)

Guidance literature:

Reference yield: 56.0%

2-oxo-4,6-dimethyl-1,2-dihydropyrimidine hydrochloride (34289-60-6) → 2-chloro-4,6-dimethylpyrimidine (4472-44-0)

Guidance literature:

With trichlorophosphate; for 18h; Heating / reflux;

upstream raw materials:

1-benzyl-3,5-dimethyl-1H-pyrazole

chloroform

hydrogenchloride

4,6-dimethylpirimidin-2-one

Downstream raw materials:

2-(1-methyl-2-[4-t-butylphenyl]ethyl)amino-4,6-dimethylpyrimidine

2-Amino-4,6-dimethylpyrimidine

4,6-dimethylpirimidin-2-one

2-ureido-4,6-dimethylpyrimidine

Refernces

• 1、 -. "NLRX1 ligands". Page/Page column 17. . Retrieved 2019/12/09.
• 2、 Ghosh, Swadesh,Singharoy, Dipti,Dhara, Anamika,Naskar, Jnan Prakash,Bhattacharya, Subhash Chandra. "Nonionic Surfactants as Potential Carriers of a Synthesized Pyrimidine Derivative: Spectroscopic and Quantum Chemical Investigations". . p. 2695 - 2701. Retrieved 2018/06/27.