3,5-Dichloro-2-iodopyrazine

Base Information

• Chemical Name: 3,5-Dichloro-2-iodopyrazine
• CAS No.: 136866-30-3
• Molecular Formula: C4HCl2IN2
• Molecular Weight: 275
• Hs Code.: 2933990090
• European Community (EC) Number: 894-621-1
• DSSTox Substance ID: DTXSID20576994
• Nikkaji Number: J2.731.511I
• Wikidata: Q82466896
• Mol file: 136866-30-3.mol

Synonyms:3,5-Dichloro-2-iodopyrazine;136866-30-3;3,5-DICHLORO-2-IODO-PYRAZINE;Pyrazine, 3,5-dichloro-2-iodo-;MFCD13189860;SCHEMBL1349372;DTXSID20576994;AEULAQIUCSOQQD-UHFFFAOYSA-N;3 pound not5-Dichloro-2-iodopyrazine;AKOS015919555;AB69264;CS-W008615;DS-15485;SY024653;3,5-Dichloro-2-iodo-pyrazine, AldrichCPR;EN300-6935223;A854326;J-511282

Chemical Property of 3,5-Dichloro-2-iodopyrazine

Chemical Property:

• Melting Point: 101.3-103.0 °C
• Boiling Point: 278.7±35.0 °C(Predicted)
• PKA: -6.27±0.10(Predicted)
• PSA: 25.78000
• Density: 2 +-.0.06 g/cm3(Predicted)
• LogP: 2.38800
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 273.85615
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

97% ^*data from raw suppliers

3,5-dichloro-2-iodopyrazine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=C(C(=N1)I)Cl)Cl

Technology Process of 3,5-Dichloro-2-iodopyrazine

There total 2 articles about 3,5-Dichloro-2-iodopyrazine 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: 90.0%

2,6-dichloropyrazine (4774-14-5) → 2,6-dichloro-3-iodopyrazine (136866-30-3)

Guidance literature:

2,6-dichloropyrazine; With zinc chloride-2,2,6,6-tetramethylpiperidin-1-ide lithium chloride complex; In tetrahydrofuran; at 25 ℃; for 0.5h; Inert atmosphere;

With iodine; In tetrahydrofuran; for 0.5h; Inert atmosphere;

DOI:10.1021/ol900342a

Reference yield:

2,6-dichloropyrazine (4774-14-5) → 2,6-dichloro-3-iodopyrazine (136866-30-3) + 2,6-dichloro-3,5-diiodopyrazine (136866-29-0)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; iodine; Yield given. Multistep reaction. Yields of byproduct given; 1.) THF, hexane, -70 deg C, 2 h, 2.) THF, -70 deg C, 2 h;

DOI:10.1016/0022-328X(91)86074-Z

Reference yield: 100.0%

2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole (24388-23-6) + 2,6-dichloro-3-iodopyrazine (136866-30-3) → 2,6-dichloro-3-phenylpyrazine (64163-11-7)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tricyclohexylphosphine; In water; toluene; at 100 ℃; for 15h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.6b01576

upstream raw materials:

2,6-dichloropyrazine

Downstream raw materials:

2,6-dichloro-3-phenylethynylpyrazine

N-benzyl-6-chloro-3-iodopyrazin-2-amine

N-benzyl-6-chloro-5-iodopyrazin-2-amine

2,6-dichloro-3-phenylpyrazine