2-Chloro-5-iodopyrimidine

Base Information

• Chemical Name: 2-Chloro-5-iodopyrimidine
• CAS No.: 32779-38-7
• Molecular Formula: C4H2ClIN2
• Molecular Weight: 240.431
• Hs Code.: 2933599090
• European Community (EC) Number: 810-994-5
• DSSTox Substance ID: DTXSID20364898
• Wikidata: Q72452619
• Mol file: 32779-38-7.mol

Synonyms:2-chloro-5-iodopyrimidine;32779-38-7;C4H2ClIN2;2-chloro-5-iodo-pyrimidine;MFCD06200210;PYRIMIDINE, 2-CHLORO-5-IODO-;5-iodo-2-chloropyrimidine;5-Chloro-2-iodo-pyrimidine;AN-584/42932311;SCHEMBL163787;DTXSID20364898;BCP15602;CS-D1737;AKOS015920314;2-chloro-5-iodopyrimidine, AldrichCPR;AB23016;AC-28322;AS-18769;BL008327;SY022683;A5856;C3119;FT-0649984;EN300-70337;J-508853;Z1124375877

Chemical Property of 2-Chloro-5-iodopyrimidine

Chemical Property:

• Vapor Pressure: 0.000754mmHg at 25°C
• Melting Point: 133.0 to 137.0 °C
• Refractive Index: 1.653
• Boiling Point: 317.8 °C at 760 mmHg
• PKA: -2.78±0.22(Predicted)
• Flash Point: 146 °C
• PSA: 25.78000
• Density: 2.188 g/cm³
• LogP: 1.73460
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Sensitive.: Light Sensitive
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 239.89512
• Heavy Atom Count: 8
• Complexity: 72.4

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-5-iodopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=N1)Cl)I
• Description: 2-Chloro-5-iodopyrimidine is 2-Chloro-5-iodopyridine is a halo-substituted pyridine, and it is used in biology application as synthesis intermediate in the multi-step synthesis.

Technology Process of 2-Chloro-5-iodopyrimidine

There total 4 articles about 2-Chloro-5-iodopyrimidine 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%

5-iodo-2-hydroxypyrimidine (79387-69-2) → 2-chloro-5-iodopyrimidine (32779-38-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; trichlorophosphate; In acetonitrile; for 20h; Reflux;

DOI:10.1002/jhet.2122

Reference yield: 34.0%

2-amino-5-iodopyrimidine (1445-39-2) → 2-chloro-5-iodopyrimidine (32779-38-7)

Guidance literature:

With tert.-butylnitrite; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/jo801501e

Reference yield:

5-Bromo-2-chloropyrimidine (32779-36-5) → 2-chloro-5-iodopyrimidine (32779-38-7)

Guidance literature:

With copper(l) iodide; sodium iodide; N,N`-dimethylethylenediamine; In 1,3-dioxane; at 110 ℃; for 24h; Inert atmosphere;

DOI:10.1021/jacs.5b06466

upstream raw materials:

2-amino-5-iodopyrimidine

5-iodo-2-hydroxypyrimidine

5-Bromo-2-chloropyrimidine

Downstream raw materials:

3-Chloro-4-(5-iodo-pyrimidin-2-yloxy)-phenylamine

2,5-dibenzyloxypyrimidine

2-benzyloxy-5-iodopyrimidine

2-hydrazinyl-5-iodopyrimidine