4-Hydroxyimino-3-iodo-2,5-cyclohexadiene-1-one

Base Information

• Chemical Name: 4-Hydroxyimino-3-iodo-2,5-cyclohexadiene-1-one
• CAS No.: 799767-58-1
• Molecular Formula: C₆H₄INO₂
• Molecular Weight: 249.008
• NSC Number: 239652
• UNII: UN5BBL8GCT
• DSSTox Substance ID: DTXSID20960132
• Nikkaji Number: J48.517I
• ChEMBL ID: CHEMBL3276928
• Mol file: 799767-58-1.mol

Synonyms:3-iodo-4-nitrosophenol;39495-50-6;4-Hydroxyimino-3-iodo-2,5-cyclohexadiene-1-one;2,5-Cyclohexadien-1-one, 4-hydroxyimino-3-iodo-;2,5-Cyclohexadiene-1,4-dione, 2-iodo-, 1-oxime;NSC-239652;NSC 239652;BRN 2613481;WLN: L6V DYJ CI DUNQ;NSC239652;UN5BBL8GCT;799767-58-1;2, 4-hydroxyimino-3-iodo-;CHEMBL3276928;DTXSID20960132;2,4-dione, 2-iodo-, 1-oxime;4-hydroxyimino-3-iodocyclohexa-2,5-dien-1-one;4-(Hydroxyimino)-3-iodocyclohexa-2,5-dien-1-one

Chemical Property of 4-Hydroxyimino-3-iodo-2,5-cyclohexadiene-1-one

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 248.92868
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)I)N=O

Technology Process of 4-Hydroxyimino-3-iodo-2,5-cyclohexadiene-1-one

There total 1 articles about 4-Hydroxyimino-3-iodo-2,5-cyclohexadiene-1-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:

3-Iodophenol (626-02-8) → 3-iodo-4-nitroso-phenol (799767-58-1)

Guidance literature:

With acetic acid; sodium nitrite;

DOI:10.1557/JMR.2000.0097 DOI:10.1039/jr9300001969

Reference yield:

3-iodo-4-nitroso-phenol (799767-58-1) → 3-iodo-4-nitrophenol (50590-07-3)

Guidance literature:

With sodium hydroxide; potassium hexacyanoferrate(III);

DOI:10.1557/JMR.2000.0097 DOI:10.1039/jr9300001969

Reference yield:

3-iodo-4-nitroso-phenol (799767-58-1) → 2-iodocyclohexa-2,5-diene-1,4-dione (3958-83-6)

Guidance literature:

Multi-step reaction with 2 steps

1: iron; aqueous hydrochloric acid

2: Fe₂ (SO₄)3; water; steam

With hydrogenchloride; iron(III) sulfate; steam; water; iron;

DOI:10.1039/jr9420000375

upstream raw materials:

3-Iodophenol

Downstream raw materials:

iodo-[1,4]benzoquinone-1-oxime

3-iodo-4-nitrophenol

2-iodocyclohexa-2,5-diene-1,4-dione