Benzoic acid, 4-iodo-3-methoxy-5-nitroso-, methyl ester

Base Information

Chemical Name:Benzoic acid, 4-iodo-3-methoxy-5-nitroso-, methyl ester
CAS No.:149082-10-0
Molecular Formula:C₉H₈INO₄
Molecular Weight:321.071
Hs Code.:
DSSTox Substance ID:DTXSID301205309

Synonyms:DTXSID301205309;149082-10-0;Benzoic acid, 4-iodo-3-methoxy-5-nitroso-, methyl ester

Suppliers and Price of Benzoic acid, 4-iodo-3-methoxy-5-nitroso-, methyl ester

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

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Chemical Property of Benzoic acid, 4-iodo-3-methoxy-5-nitroso-, methyl ester

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:320.94981
Heavy Atom Count:15
Complexity:248

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC(=CC(=C1I)N=O)C(=O)OC

Technology Process of Benzoic acid, 4-iodo-3-methoxy-5-nitroso-, methyl ester

There total 4 articles about Benzoic acid, 4-iodo-3-methoxy-5-nitroso-, 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:

: 3-Hydroxyamino-4-iodo-5-methoxy-benzoic acid methyl ester

: 149082-10-0
4-iodo-3-methoxy-5-nitrosobenzoic acid methyl ester

Guidance literature:: With chromium(VI) oxide; sulfuric acid; In acetone; for 0.166667h; Yield given;
DOI:10.1021/ja00067a026

Reference yield:

: 42590-00-1
4-hydroxy-3-methoxy-5-nitrobenzoic acid methyl ester

: 149082-10-0
4-iodo-3-methoxy-5-nitrosobenzoic acid methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 88 percent / pyridine / CH₂Cl₂ / 0.5 h / 0 °C

2: 84 percent / NaI / dimethylsulfoxide / 39 h / 70 °C

3: NH₄Cl, Zn / methanol; tetrahydrofuran; H₂O / 0.25 h / Heating

4: CrO₃, aq. H₂SO₄ / acetone / 0.17 h

With pyridine; chromium(VI) oxide; sulfuric acid; ammonium chloride; sodium iodide; zinc; In tetrahydrofuran; methanol; dichloromethane; water; dimethyl sulfoxide; acetone;
DOI:10.1021/ja00067a026

Reference yield:

: 149082-20-2
4-iodo-3-methoxy-5-nitrobenzoic acid methyl ester

: 149082-10-0
4-iodo-3-methoxy-5-nitrosobenzoic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: NH₄Cl, Zn / methanol; tetrahydrofuran; H₂O / 0.25 h / Heating

2: CrO₃, aq. H₂SO₄ / acetone / 0.17 h

With chromium(VI) oxide; sulfuric acid; ammonium chloride; zinc; In tetrahydrofuran; methanol; water; acetone;
DOI:10.1021/ja00067a026