6-Iodoquinazoline

Base Information

• Chemical Name: 6-Iodoquinazoline
• CAS No.: 848841-54-3
• Molecular Formula: C8H5IN2
• Molecular Weight: 256.0432
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40700830
• Wikidata: Q82632307
• Mol file: 848841-54-3.mol

Synonyms:6-IODOQUINAZOLINE;848841-54-3;Quinazoline, 6-iodo-;6-iodanylquinazoline;6-iodo-quinazoline;6-iodoquin azoline;SCHEMBL1585461;AMY1724;DTXSID40700830;BLJDQJLSUDXUGL-UHFFFAOYSA-N;MFCD09834646;AKOS015853663;GS-4267;MB07778;BB 0262693;FT-0752779;EN300-3573084;A840971

Chemical Property of 6-Iodoquinazoline

Chemical Property:

• Boiling Point: 329.088 °C at 760 mmHg
• PKA: 3.65±0.26(Predicted)
• Flash Point: 152.827 °C
• PSA: 25.78000
• Density: 1.939 g/cm³
• LogP: 2.23440
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 255.94975
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

99.3% ^*data from raw suppliers

6-Iodoquinazoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NC=NC=C2C=C1I

Technology Process of 6-Iodoquinazoline

There total 2 articles about 6-Iodoquinazoline 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%

quinazoline (253-82-7) → 6-iodo-quinazoline (848841-54-3)

Guidance literature:

With N-iodo-succinimide; sulfuric acid; at 0 - 20 ℃; for 20h;

Reference yield:

→ 6-iodo-quinazoline (848841-54-3)

Guidance literature:

Reference yield: 56.0%

6-iodo-quinazoline (848841-54-3) + C16H15F7N2O → 2-methyl-2-((1R,5S)-6-(quinazolin-6-yl)-3-azabicyclo[3.1.0]hexan-3-yl)-N-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)propenamide

Guidance literature:

With 6-methyl-2-pyridinecarboxylic acid; palladium diacetate; cesium pivalate; In tert-Amyl alcohol; at 130 ℃; Reagent/catalyst; Sealed tube;

DOI:10.1021/acs.joc.0c00870

upstream raw materials:

quinazoline

Refernces

• 1、 -. "4-amino-quinazolines". . . Retrieved 2008/06/13.