Benzoic acid, 3-iodo-4-(methylseleno)-, methyl ester

Base Information

Chemical Name:Benzoic acid, 3-iodo-4-(methylseleno)-, methyl ester
CAS No.:874764-42-8
Molecular Formula:C9H9IO2Se
Molecular Weight:355.034
Hs Code.:
DSSTox Substance ID:DTXSID70478934
Wikidata:Q82312668

Synonyms:Benzoic acid, 3-iodo-4-(methylseleno)-, methyl ester;874764-42-8;DTXSID70478934

Suppliers and Price of Benzoic acid, 3-iodo-4-(methylseleno)-, methyl ester

Supply Marketing:

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

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Chemical Property of Benzoic acid, 3-iodo-4-(methylseleno)-, methyl ester

Chemical Property:

Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:355.88125
Heavy Atom Count:13
Complexity:187

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC(=C(C=C1)[Se]C)I

Technology Process of Benzoic acid, 3-iodo-4-(methylseleno)-, methyl ester

There total 1 articles about Benzoic acid, 3-iodo-4-(methylseleno)-, methyl ester 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: 49.0%

: 7101-31-7
dimethyl diselenide

: 19718-49-1
4-amino-3-iodobenzoic acid methyl ester

: 874764-42-8
methyl 3-iodo-4-(methylselenyl)benzoate

Guidance literature:: 4-amino-3-iodobenzoic acid methyl ester; With tetrafluoroboric acid; sodium nitrite; In methanol; water; at 0 - 20 ℃;

dimethyl diselenide; With 18-crown-6 ether; potassium acetate; In chloroform; at 0 ℃; for 4h;
DOI:10.1021/jo0524268

Reference yield: 92.0%

: 874764-42-8
methyl 3-iodo-4-(methylselenyl)benzoate

: 17715-00-3
prop-2-ynylcyclohexane

: 882868-29-3
methyl 3-(3-cyclohexylprop-1-ynyl)-4-(methylselenyl)benzoate

Guidance literature:: With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; at 20 ℃; for 48h;
DOI:10.1021/jo0524268

Reference yield:

: 874764-42-8
methyl 3-iodo-4-(methylselenyl)benzoate

: methyl 2-cyclohexylmethyl-3-iodobenzo[b]selenophene-5-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 92 percent / Et₃N; CuI / PdCl₂(PPh₃)2 / 48 h / 20 °C

2: 82 percent / I₂ / CH₂Cl₂ / 1 h / 20 °C

With copper(l) iodide; iodine; triethylamine; bis-triphenylphosphine-palladium(II) chloride; In dichloromethane; 1: Sonogashira coupling;
DOI:10.1021/jo0524268