4-iodoisobenzofuran-1(3H)-one

Base Information

Chemical Name:4-iodoisobenzofuran-1(3H)-one
CAS No.:105694-45-9
Molecular Formula:C8H5IO2
Molecular Weight:260.031
Hs Code.:
DSSTox Substance ID:DTXSID201308192
Mol file:105694-45-9.mol

Synonyms:4-iodoisobenzofuran-1(3H)-one;105694-45-9;4-Iodo-3H-isobenzofuran-1-one;4-Iodo-3H-2-benzofuran-1-one;4-Iodo-1(3H)-isobenzofuranone;DTXSID201308192

Suppliers and Price of 4-iodoisobenzofuran-1(3H)-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Chemcia Scientific
4-Iodo-3H-isobenzofuran-1-one 95%
0.5 G
$ 345.00

Total 4 raw suppliers

Chemical Property of 4-iodoisobenzofuran-1(3H)-one

Chemical Property:

Melting Point:141 °C(Solv: 1,4-dioxane (123-91-1))
Boiling Point:396.3±42.0 °C(Predicted)
PSA：26.30000
Density:2.029±0.06 g/cm3(Predicted)
LogP:1.96160
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:259.93343
Heavy Atom Count:11
Complexity:181

Purity/Quality:

99% ^*data from raw suppliers

4-Iodo-3H-isobenzofuran-1-one 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=C(C=CC=C2I)C(=O)O1

Technology Process of 4-iodoisobenzofuran-1(3H)-one

There total 9 articles about 4-iodoisobenzofuran-1(3H)-one 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: 20.0%

: 28418-88-4
3-iodophthalic anhydride

: 105694-45-9
4-iodophthalide

: 105694-46-0
7-iodophthalide

: (2-Hydroxymethyl-6-iodo-phenyl)-methanol

Guidance literature:: With sodium tetrahydroborate; In tetrahydrofuran; at 22 ℃; for 48h; Yields of byproduct given;
DOI:10.1021/jo00377a023

Reference yield:

: 28418-88-4
3-iodophthalic anhydride

: 105694-45-9
4-iodophthalide

: 105694-46-0
7-iodophthalide

Guidance literature:: reduction;

Reference yield:

: 31599-60-7
1-iodo-2,3-dimethylbenzene

: 105694-45-9
4-iodophthalide

Guidance literature:: Multi-step reaction with 3 steps

1: 72 percent / cetyltrimethylammonium bromide, KMnO₄ / H₂O / 24 h / 50 - 60 °C

2: 88 percent / acetic anhydride / 1 h / Heating

3: Na-selectride / tetrahydrofuran / 4 h / 0 °C

With potassium permanganate; cetyltrimethylammonim bromide; acetic anhydride; sodium tri-sec-butylborohydride; In tetrahydrofuran; water;
DOI:10.1021/jo00377a023