2,4-Dichloro-6-methyl-5-nitropyrimidine

Base Information

• Chemical Name: 2,4-Dichloro-6-methyl-5-nitropyrimidine
• CAS No.: 13162-26-0
• Molecular Formula: C5H3Cl2N3O2
• Molecular Weight: 208.004
• Hs Code.: 29335990
• European Community (EC) Number: 825-790-1
• NSC Number: 122005
• DSSTox Substance ID: DTXSID10298254
• Nikkaji Number: J742.777H
• Wikidata: Q72466826
• ChEMBL ID: CHEMBL162141
• Mol file: 13162-26-0.mol

Synonyms:2,4-Dichloro-6-methyl-5-nitropyrimidine;13162-26-0;2,4-Dichloro-5-nitro-6-methylpyrimidine;2,4-Dichloro-6-methyl-5-nitro-pyrimidine;Pyrimidine, 2,4-dichloro-6-methyl-5-nitro-;2,6-dichloro-4-methyl-5-nitropyrimidine;MFCD00023196;2,4-Dichloro-6-methyl-5-nitro pyrimidine;NSC122005;SCHEMBL56358;CHEMBL162141;DTXSID10298254;NBCOZXBHPKSFSA-UHFFFAOYSA-N;CS-D1701;GEO-03671;STL115585;AKOS002662660;AC-5941;NSC-122005;SB60516;2,4dichloro-6-methyl-5-nitropyrimidine;AS-11858;A2751;AM20080229;FT-0636821;EN300-105048;A901022;W-201054;2,4-Dichloro-6-methyl-5-nitropyrimidine, AldrichCPR

Chemical Property of 2,4-Dichloro-6-methyl-5-nitropyrimidine

Chemical Property:

• Appearance/Colour: yellow crystalline solid
• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 52-54 °C
• Refractive Index: 1.597
• Boiling Point: 311.8 °C at 760 mmHg
• PKA: -5.30±0.39(Predicted)
• Flash Point: 142.4 °C
• PSA: 71.60000
• Density: 1.626 g/cm³
• LogP: 2.52320
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 206.9602317
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

99%, ^*data from raw suppliers

2,4-Dichloro-6-methyl-5-nitropyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-41-36/37/38
• Safety Statements: 26-39-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NC(=N1)Cl)Cl)[N+](=O)[O-]
• Uses: A synthetic intermediate

Technology Process of 2,4-Dichloro-6-methyl-5-nitropyrimidine

There total 10 articles about 2,4-Dichloro-6-methyl-5-nitropyrimidine 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: 87.0%

6-methyl-5-nitropyrimidine-2,4-diol (16632-21-6) → 2,4-dichloro-6-methyl-5-nitropyrimidine (13162-26-0)

Guidance literature:

With tetraethylammonium chloride; 2,3-Dimethylaniline; trichlorophosphate; In acetonitrile;

DOI:10.1016/j.bmcl.2006.06.066

Reference yield: 77.0%

→ 2,4-dichloro-6-methyl-5-nitropyrimidine (13162-26-0)

Guidance literature:

With magnesium(II) perchlorate; 2-nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide; In [D₃]acetonitrile; at 85 ℃; for 5h; Inert atmosphere; Sealed tube;

Reference yield: 65.0%

5-nitro-6-methyluracil (16632-21-6) → 2,4-dichloro-6-methyl-5-nitropyrimidine (13162-26-0)

Guidance literature:

With N,N-dimethyl-aniline; trichlorophosphate; In N,N-dimethyl-formamide; at 120 ℃; for 8h;

upstream raw materials:

5-nitro-6-methyluracil

N,N-dimethyl-aniline

trichlorophosphate

6-methyl-5-nitropyrimidine-2,4-diol

Downstream raw materials:

2,4-Bis--6-methyl-5-nitro-pyrimidin

(2-methoxy-6-methyl-5-nitro-pyrimidin-4-yl)-[2]pyridyl-amine

6-methyl-2,4-diamino-5-nitropyrimidine

4-Amino-5-nitro-6-methyl-2-chloropyrimidine

Refernces

• 1、 Sura, Mallikarjun Reddy,Peddiahgari, Vasu Govardhana Reddy,Bhoomireddy, Rajendra Prasad Reddy,Vadde, Rama Krishna. "Synthesis of new 2,4-diaryl-6-methyl-5-nitropyrimidines as antibacterial and antioxidant agents". . p. 1395 - 1399. Retrieved 2013.
• 2、 -. "Ethanol compound used as FGFR inhibitor". Paragraph 0031. . Retrieved 2017/03/17.