2-Iodo-4,6-dimethylpyrimidine

Base Information

• Chemical Name: 2-Iodo-4,6-dimethylpyrimidine
• CAS No.: 16879-40-6
• Molecular Formula: C6H7 I N2
• Molecular Weight: 234.039
• Hs Code.: 2933599090
• European Community (EC) Number: 869-523-7
• DSSTox Substance ID: DTXSID60465833
• Nikkaji Number: J497.688F
• Wikidata: Q82292086
• Mol file: 16879-40-6.mol

Synonyms:2-iodo-4,6-dimethylpyrimidine;16879-40-6;4,6-Dimethyl-2-iodopyrimidine;SCHEMBL3600351;DTXSID60465833;HYQMOIDHGGDJMH-UHFFFAOYSA-N;Pyrimidine, 2-iodo-4,6-dimethyl-;MFCD09909561;AKOS005264143;FS-6435;SB58307;BB 0237569;CS-0246403;FT-0764683;EN300-3249854

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

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Melting Point: 128-129 °C
• Refractive Index: 1.606
• Boiling Point: 305.1°Cat760mmHg
• PKA: 0.37±0.30(Predicted)
• Flash Point: 138.3°C
• PSA: 25.78000
• Density: 1.793g/cm³
• LogP: 1.69800
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 233.96540
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

99% ^*data from raw suppliers

4,6-Dimethyl-2-iodopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 4 articles about 2-Iodo-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: 62.0%

2-chloro-4,6-dimethylpyrimidine (4472-44-0) → 2-iodo-4,6-dimethylpyrimidine (16879-40-6)

Guidance literature:

With hydrogen iodide; at 20 ℃; for 5h;

DOI:10.1021/jo0255781

Reference yield:

acetylacetone (123-54-6,81235-32-7) → 2-iodo-4,6-dimethylpyrimidine (16879-40-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 75 percent / conc. HCl / ethanol / 24 h / Heating

2: 77 percent / phosphorus oxychloride / 10 h / Heating

3: 62 percent / conc. HI / 5 h / 20 °C

With hydrogenchloride; hydrogen iodide; trichlorophosphate; In ethanol;

DOI:10.1021/jo0255781

Reference yield:

4,6-dimethyl-2-hydroxy-pyrimidine hydrochloride (34289-60-6) → 2-iodo-4,6-dimethylpyrimidine (16879-40-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 77 percent / phosphorus oxychloride / 10 h / Heating

2: 62 percent / conc. HI / 5 h / 20 °C

With hydrogen iodide; trichlorophosphate;

DOI:10.1021/jo0255781

upstream raw materials:

2-chloro-4,6-dimethylpyrimidine

4,6-dimethyl-2-hydroxy-pyrimidine hydrochloride

acetylacetone

Downstream raw materials:

(E,E)-4,6-bis(4-dimethylaminostyryl)-2-iodopyrimidine

N,N-bis(4-iodophenyl)-4-[4-bis(E,E)-{4,6-(dibutylaminostyryl)pyrimidin-2-yl}ethynyl]aniline

N,N-bis(4-iodophenyl)-4-[4-bis(E,E)-{4,6-(dimethylaminostyryl)pyrimidin-2-yl}ethynyl]aniline

(E,E)-4,6-bis(4-N-dibutylaminostyryl)-2-ethynylpyrimidine