1-(2-Hydroxy-4-iodophenyl)ethanone

Base Information

• Chemical Name: 1-(2-Hydroxy-4-iodophenyl)ethanone
• CAS No.: 39730-66-0
• Molecular Formula: C8H7IO2
• Molecular Weight: 262.047
• DSSTox Substance ID: DTXSID10497942
• Wikidata: Q82347718
• Mol file: 39730-66-0.mol

Synonyms:1-(2-Hydroxy-4-iodophenyl)ethanone;39730-66-0;2-HYDROXY-4-IODOACETOPHENONE;2-Hydroxy-4-Iodo-Acetophenone;1-(2-Hydroxy-4-iodophenyl)ethan-1-one;2-Hydroxy-4-iodo acetophenone;SCHEMBL3341120;DTXSID10497942;HOAGNZVXTPAGHN-UHFFFAOYSA-N;MFCD09998234;AKOS016008852;AS-37944;CS-0199995;EN300-4266748;A912437;Z1269204587

Chemical Property of 1-(2-Hydroxy-4-iodophenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.00018mmHg at 25°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 261.94908
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(2-Hydroxy-4-iodophenyl)ethanone

There total 7 articles about 1-(2-Hydroxy-4-iodophenyl)ethanone 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: 88.0%

3-iodophenylacetate (42861-71-2) → 1-(2-hydroxy-4-iodophenyl)ethan-1-one (39730-66-0)

Guidance literature:

With boron trifluoride diacetate; at 180 ℃; for 12h;

DOI:10.3390/molecules26216572

Reference yield:

3-Iodophenol (626-02-8) → 1-(2-hydroxy-4-iodophenyl)ethan-1-one (39730-66-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 97 percent / triethylamine; 4-(N,N-dimethylamino)pyridine / CH₂Cl₂ / 2 h

2: 69 percent / AlCl₃ / chlorobenzene / 90 h / 140 °C

With dmap; aluminium trichloride; triethylamine; In dichloromethane; chlorobenzene; 2: Fries rearrangement;

DOI:10.1016/j.bmc.2004.02.031

Reference yield:

→ 1-(2-hydroxy-4-iodophenyl)ethan-1-one (39730-66-0)

Guidance literature:

With aluminium trichloride; chlorobenzene;

DOI:10.1039/jr9580000146

upstream raw materials:

3-iodophenylacetate

3-methoxy-1-iodobenzene

acetyl chloride

3-Iodophenol

Downstream raw materials:

1-(4-iodo-2-methoxyphenyl)ethan-1-one

(E)-3-(4-Benzyloxy-phenyl)-1-(2-hydroxy-4-iodo-phenyl)-propenone

4-acetyl-3-hydroxybenzonitrile

2'-hydroxy-4'-iodo-3,4,5-trimethoxy-chalcone