Ethyl (3-iodobenzoyl)acetate

Base Information

Chemical Name:Ethyl (3-iodobenzoyl)acetate
CAS No.:68332-33-2
Molecular Formula:C11H11IO3
Molecular Weight:318.111
Hs Code.:2918300090
DSSTox Substance ID:DTXSID90374767
Wikidata:Q82163331
Mol file:68332-33-2.mol

Synonyms:Ethyl (3-iodobenzoyl)acetate;68332-33-2;ethyl 3-(3-iodophenyl)-3-oxopropanoate;SCHEMBL5621140;DTXSID90374767;BJAFBVNGJCARIJ-UHFFFAOYSA-N;Ethyl (3-iodobenzoyl)acetate, 97%;ZB1768;AKOS015889577;ethyl3-(3-iodophenyl)-3-oxopropanoate;CS-0331368;FT-0739081;3-(3-iodophenyl)-3-oxopropionic acid ethyl ester;A899887;A1-02849;3-(3-Iodo-phenyl)-3-oxo-propionic acid ethyl ester

Suppliers and Price of Ethyl (3-iodobenzoyl)acetate

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

Sigma-Aldrich
Ethyl (3-iodobenzoyl)acetate 97%
1g
$ 91.00

Crysdot
Ethyl3-(3-iodophenyl)-3-oxopropanoate 97%
1g
$ 635.00

American Custom Chemicals Corporation
3-(3-IODO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER 95.00%
1G
$ 713.58

Alichem
Ethyl3-(3-iodophenyl)-3-oxopropanoate
25g
$ 1420.40

Alichem
Ethyl3-(3-iodophenyl)-3-oxopropanoate
10g
$ 994.28

A1 Biochem Labs
Ethyl3-(3-iodophenyl)-3-oxopropanoate 95%
5 g
$ 700.00

Total 9 raw suppliers

Chemical Property of Ethyl (3-iodobenzoyl)acetate

Chemical Property:

Vapor Pressure:3.64E-05mmHg at 25°C
Refractive Index:n20/D 1.5960(lit.)
Boiling Point:353.2oC at 760 mmHg
PKA:9.86±0.46(Predicted)
Flash Point:>230 °F
PSA：43.37000
Density:1.604 g/mL at 25oC(lit.)
LogP:2.42710
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:317.97529
Heavy Atom Count:15
Complexity:240

Purity/Quality:

97% ^*data from raw suppliers

Ethyl (3-iodobenzoyl)acetate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC(=O)C1=CC(=CC=C1)I

Technology Process of Ethyl (3-iodobenzoyl)acetate

There total 4 articles about Ethyl (3-iodobenzoyl)acetate 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: 100.0%

: 58313-23-8
3-iodobenzoic acid methyl ester

: 68332-33-2
3-(3-iodophenyl)-3-oxopropionic acid ethyl ester

Guidance literature:: In tetrahydrofuran; ethyl acetate;

Reference yield: 83.0%

: 3-iodo-N-phenyl-N-tosylbenzamide

: 141-78-6
ethyl acetate

: 68332-33-2
3-(3-iodophenyl)-3-oxopropionic acid ethyl ester

Guidance literature:: With lithium hexamethyldisilazane; In tetrahydrofuran; at 25 ℃; for 2h; chemoselective reaction; Inert atmosphere; Green chemistry;
DOI:10.1021/acs.joc.0c02868

Reference yield: 62.0%

: 14452-30-3
3'-iodoacetophenone

: 105-58-8,76619-83-5
Diethyl carbonate

: 68332-33-2
3-(3-iodophenyl)-3-oxopropionic acid ethyl ester

Guidance literature:: Diethyl carbonate; With sodium hydride; In toluene; mineral oil; at 0 ℃; for 0.0833333h; Inert atmosphere;

3'-iodoacetophenone; In toluene; mineral oil; at 20 - 110 ℃; for 16.1667h;