6-Iodochroman

Base Information

• Chemical Name: 6-Iodochroman
• CAS No.: 67856-45-5
• Molecular Formula: C9H9IO
• Molecular Weight: 260.074
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID80449337
• Nikkaji Number: J726.614F
• Wikidata: Q82268762
• Mol file: 67856-45-5.mol

Synonyms:6-iodochroman;67856-45-5;6-iodo-3,4-dihydro-2H-chromene;2H-1-Benzopyran, 3,4-dihydro-6-iodo-;6-iodo-3,4-dihydro-2H-1-benzopyran;6-iodochromane;SCHEMBL753333;AMY5726;DTXSID80449337;LOHYOLMVKQWFIK-UHFFFAOYSA-N;MFCD16037277;AKOS017553943;3,4-dihydro-6-iodo-2H-1-benzopyran;AS-62820;EN300-646104;A867178

Chemical Property of 6-Iodochroman

Chemical Property:

• Boiling Point: 296.9±29.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.741±0.06 g/cm3(Predicted)
• LogP: 2.61620
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 259.96981
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99%, ^*data from raw suppliers

6-Iodochroman ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=CC(=C2)I)OC1

Technology Process of 6-Iodochroman

There total 6 articles about 6-Iodochroman 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: 95.0%

chroman-6-yl(phenyl)iodonium triflate → 6-iodo-chroman (67856-45-5)

Guidance literature:

With potassium iodide; In 1,2-dichloro-ethane; at 60 ℃;

DOI:10.1002/adsc.202100809

Reference yield: 82.0%

3-Phenyl-1-propanol (122-97-4) → 6-iodo-chroman (67856-45-5)

Guidance literature:

With 1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione; In 1,1-Dichloroethylene; at 40 ℃; for 9h; Irradiation;

DOI:10.1055/s-0030-1258017

Reference yield: 74.0%

chromane (493-08-3) → 6-iodo-chroman (67856-45-5)

Guidance literature:

With iodine; silver nitrate; In methanol; for 1h;

upstream raw materials:

3-Phenyl-1-propanol

chromane

2,3-dihydro-4H-1-benzopyran-4-one

Downstream raw materials:

C₃₁H₃₃FN₂O₄

2-(tert-butoxy)-2-(4-(chroman-6-yl)-1-(4-fluorobenzyl)-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetic acid

methyl 4-(chroman-6-yl)-1-(3,4-difluorobenzyl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

(4-(chroman-6-yl)-1-(3,4-difluorobenzyl)-6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methanol

Refernces

• 1、 -. "AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV". Paragraph 00212. . Retrieved 2013/03/26.
• 2、 -. "INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION". Page/Page column 66-67. . Retrieved 2009/06/27.