5-Iodo-2,4-dimethoxypyrimidine

Base Information

• Chemical Name: 5-Iodo-2,4-dimethoxypyrimidine
• CAS No.: 52522-99-3
• Molecular Formula: C6H7IN2O2
• Molecular Weight: 266.038
• Hs Code.: 29335990
• European Community (EC) Number: 676-531-2
• NSC Number: 97838
• DSSTox Substance ID: DTXSID00294745
• Nikkaji Number: J863.940J
• Wikidata: Q69757095
• Mol file: 52522-99-3.mol

Synonyms:5-iodo-2,4-dimethoxypyrimidine;52522-99-3;2,4-Dimethoxy-5-iodopyrimidine;5-iodo-2,4-dimethoxy-pyrimidine;Pyrimidine, 5-iodo-2,4-dimethoxy-;5-Iodo-2,4-dimethoxy-pyrimi-dine;5-iodo-2,6-dimethoxypyrimidine;NSC97838;MFCD00090865;NCIOpen2_006655;SCHEMBL1471865;2,4-Dimetthoxy-5-iodopyrimidine;DTXSID00294745;2,4-Dimethoxy-5-iodo-pyrimidine;KNTMOGOYRYYUIE-UHFFFAOYSA-N;5-iodanyl-2,4-dimethoxy-pyrimidine;NSC-97838;AKOS015853863;CS-W008444;SB60514;AC-28081;AS-18397;5-Iodo-2,4-dimethoxy??pyrimi??dine, 98%;AM20100291;FT-0647586;I0531;EN300-85210;A829128;W-202978;5-Iodo-2,4-dimethoxy??pyrimi??dine, >=98% (TLC)

Chemical Property of 5-Iodo-2,4-dimethoxypyrimidine

Chemical Property:

• Vapor Pressure: 2.55E-06mmHg at 25°C
• Melting Point: 71-75 °C(lit.)
• Refractive Index: 1.603
• Boiling Point: 328.7 °C at 760 mmHg
• PKA: 1.33±0.29(Predicted)
• Flash Point: 152.6 °C
• PSA: 44.24000
• Density: 1.822 g/cm³
• LogP: 1.09840
• Storage Temp.: −20°C
• Sensitive.: Light Sensitive
• Solubility.: Chloroform; Dichloromethane
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 265.95523
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

5-iodo-2,4-dimethoxypyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,T
• Hazard Codes: Xi,T
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=NC(=NC=C1I)OC

Technology Process of 5-Iodo-2,4-dimethoxypyrimidine

There total 9 articles about 5-Iodo-2,4-dimethoxypyrimidine 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: 88.0%

2,4-dimethoxypyrimidine (3551-55-1) → 2,4-dimethoxy-5-iodopyrimidine (52522-99-3)

Guidance literature:

2,4-dimethoxypyrimidine; With magnesium dichloride(2,2,6,6-tetramethylpiperidine) lithium chloride salt; In tetrahydrofuran; at 0 ℃; for 2h; Inert atmosphere;

With iodine; In tetrahydrofuran; for 8h; Inert atmosphere;

Reference yield: 80.0%

2,4-dimethoxypyridine (18677-43-5) + (S)-1,2-O-isopropylidene-O-(4-methoxybenzyl)-1,2,4-butanetriol → 2,4-dimethoxy-5-iodopyrimidine (52522-99-3)

Guidance literature:

With N-chloro-succinimide; sodium iodide; In hexane; chloroform; acetic acid; acetone;

Reference yield: 58.0%

5-Acetoxymercuri-2,4-dimethoxypyrimidine (123551-48-4) → 2,4-dimethoxy-5-iodopyrimidine (52522-99-3)

Guidance literature:

With iodine; In water; Heating;

DOI:10.1007/BF00479920

upstream raw materials:

2,4-dimethoxypyrimidine

5-Acetoxymercuri-2,4-dimethoxypyrimidine

5,5'-Mercuri-bis-(2,4-dimethoxypyrimidine)

methanol

Downstream raw materials:

5-(3-hydroxy-3-phenylprop-1-ynyl)-2,4-dimethoxypyrimidine

diphenyl acetylene

1-(2,4-Dimethoxypyrimidin-5-yl)-2-phenylacetylene

1,2-bis(3-chlorophenyl)ethyne

Refernces

• 1、 -. "Preparation method of magnesium dichloride (2,2,6,6-tetramethylpiperidinde) lithium salt". Paragraph 0031-0033. . Retrieved 2019/02/04.
• 2、 -. "Nucleic acid derivatives". . . Retrieved 2008/06/13.