4-Iodo-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid

Base Information

Chemical Name:4-Iodo-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid
CAS No.:48133-18-2
Molecular Formula:C8H9IO4
Molecular Weight:296.0591
Hs Code.:
NSC Number:128317
DSSTox Substance ID:DTXSID70299121

Synonyms:48133-18-2;4-iodo-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid;NSC128317;DTXSID70299121;NSC-128317

Suppliers and Price of 4-Iodo-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid

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

Total 4 raw suppliers

Chemical Property of 4-Iodo-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid

Chemical Property:

Vapor Pressure:4.23E-11mmHg at 25°C
Boiling Point:493.9°C at 760 mmHg
Flash Point:252.5°C
Density:2.05g/cm³
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:295.95456
Heavy Atom Count:13
Complexity:265

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2C(CC(C1OC2=O)I)C(=O)O

Technology Process of 4-Iodo-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid

There total 3 articles about 4-Iodo-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylic acid 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: 70.0%

: 935-79-5
cis-1,2,3,6-tetrahydrophthalic anhydride

: 48133-18-2
(1S,2R,4R,5R)-4-Iodo-7-oxo-6-oxa-bicyclo[3.2.1]octane-2-carboxylic acid

Guidance literature:: cis-1,2,3,6-tetrahydrophthalic anhydride; In water; acetone; at 23 ℃; for 24h;

With iodine; sodium hydrogencarbonate; potassium iodide; In water; at 23 ℃; for 2h;
DOI:10.1021/ja036763e

Reference yield:

: 130595-58-3
tert-butyl (1S,2R,4R,5R)-4-iodo-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate

: 130695-71-5,48133-18-2
(1S,2R,4R,5R)-4-Iodo-7-oxo-6-oxabicyclo<3.2.1>octane-2-carboxylic Acid

Guidance literature:: With trifluoroacetic acid; at 0 ℃; for 2h;
DOI:10.1248/cpb.38.1479

Reference yield:

: 91259-92-6
(1S,2R)-6-(tert-butoxycarbonyl)-3-cyclohexene-1-carboxylic acid

: 130695-71-5,48133-18-2
(1S,2R,4R,5R)-4-Iodo-7-oxo-6-oxabicyclo<3.2.1>octane-2-carboxylic Acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.791 g / I₂, KI / CH₂Cl₂; H₂O / 24 h / Ambient temperature

2: 1.460 g / trifluoroacetic acid / 2 h / 0 °C

With iodine; trifluoroacetic acid; potassium iodide; In dichloromethane; water;
DOI:10.1248/cpb.38.1479