o-ANISIC ACID, 3,5-DIIODO-

Base Information

• Chemical Name: o-ANISIC ACID, 3,5-DIIODO-
• CAS No.: 19094-55-4
• Molecular Formula: C8H6I2O3
• Molecular Weight: 403.943
• DSSTox Substance ID: DTXSID50172605
• Wikidata: Q83042709
• ChEMBL ID: CHEMBL3298113
• Mol file: 19094-55-4.mol

Synonyms:3,5-Diiodo-2-methoxybenzoic acid;3,5-Diiodo-o-anisic acid;o-ANISIC ACID, 3,5-DIIODO-;BRN 2723364;19094-55-4;3-10-00-00189 (Beilstein Handbook Reference);CHEMBL3298113;SCHEMBL10370336;DTXSID50172605;LS-20087

Chemical Property of o-ANISIC ACID, 3,5-DIIODO-

Chemical Property:

• Vapor Pressure: 1.44E-08mmHg at 25°C
• Boiling Point: 441.4°C at 760 mmHg
• Flash Point: 220.7°C
• Density: 2.374g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 403.84064
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1I)I)C(=O)O

Technology Process of o-ANISIC ACID, 3,5-DIIODO-

There total 4 articles about o-ANISIC ACID, 3,5-DIIODO- 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: 97.0%

methyl 3,5-diiodo-2-methoxybenzoate (121789-21-7) → 3,5-diiodo-2-methoxybenzoic acid (19094-55-4)

Guidance literature:

With potassium hydroxide; In methanol; water; for 4h; Heating;

Reference yield:

3,5-diiodosalicylic acid (133-91-5) → 3,5-diiodo-2-methoxybenzoic acid (19094-55-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium carbonate / acetone / 3 h / 20 °C / Inert atmosphere

2.1: potassium hydroxide / water; methanol / Inert atmosphere; Reflux

2.2: Inert atmosphere

With potassium carbonate; potassium hydroxide; In methanol; water; acetone;

DOI:10.1021/jm5006435

Reference yield:

methyl iodide (74-88-4) → 3,5-diiodo-2-methoxybenzoic acid (19094-55-4)

Guidance literature:

With methanol;

upstream raw materials:

methyl 3,5-diiodo-2-methoxybenzoate

methyl iodide

3,5-diiodosalicylic acid

Downstream raw materials:

3,5-diiodo-2-methoxy-N-(naphthalen-2-yl)benzamide

N-(4-(4-chlorophenoxy)phenyl)-3,5-diiodo-2-methoxybenzamide