4-Iodo-2-methoxybenzoic acid

Base Information

• Chemical Name: 4-Iodo-2-methoxybenzoic acid
• CAS No.: 89942-34-7
• Molecular Formula: C8H7 I O3
• Molecular Weight: 278.046
• Hs Code.: 2918990090
• European Community (EC) Number: 627-802-9
• DSSTox Substance ID: DTXSID00541185
• Wikidata: Q82417454
• Mol file: 89942-34-7.mol

Synonyms:4-Iodo-2-methoxybenzoic acid;89942-34-7;4-Iodo-2-methoxybenzoic acid, 97%;MFCD07780726;4-iodo-2-methoxy benzoic acid;Benzoic acid, 4-iodo-2-methoxy-;4-IODO-2-METHOXYBENZOICACID;SCHEMBL1050257;DTXSID00541185;KKAZLRGZDIWYJT-UHFFFAOYSA-N;AKOS005147332;AC-28656;AS-49777;SY211606;CS-0099430;EN300-344248;N10502;A860974;Z1269240360

Chemical Property of 4-Iodo-2-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 147-151 °C
• Refractive Index: 1.631
• Boiling Point: 354.661°C at 760 mmHg
• Flash Point: 168.293°C
• PSA: 46.53000
• Density: 1.878g/cm³
• LogP: 1.99800
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 277.94399
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

4-Iodo-2-methoxybenzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)I)C(=O)O

Technology Process of 4-Iodo-2-methoxybenzoic acid

There total 10 articles about 4-Iodo-2-methoxybenzoic acid 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:

4-iodo-2-methoxybenzoic acid-methyl ester (148490-97-5) → 2-methoxy-4-iodobenzoic acid (89942-34-7)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran;

Reference yield:

3-methoxy-1-iodobenzene (766-85-8) → 2-methoxy-4-iodobenzoic acid (89942-34-7)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) AlCl₃, (ii) aq. NaOH

2: K₂CO₃

3: Cl₂, aq. KOH

With potassium hydroxide; chlorine; potassium carbonate;

DOI:10.1248/cpb.10.1137

Reference yield:

1-(4-iodo-2-methoxyphenyl)ethan-1-one (90347-64-1) → 2-methoxy-4-iodobenzoic acid (89942-34-7)

Guidance literature:

With potassium hydroxide; chlorine;

DOI:10.1248/cpb.10.1137

upstream raw materials:

4-iodo-2-methoxybenzaldehyde

2-Methoxybenzoic acid

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

4-iodosalicylic acid

Downstream raw materials:

4-iodosalicylic acid

2-(4-Iodo-2-methoxy-phenyl)-3H-imidazo[4,5-c]pyridine; hydrochloride

10-(4-iodo-2-methoxybenzoyl)-10,11-dihydro-5H-pyrrolo [2,1-c][1,4]benzodiazepine

5-(4-iodo-2-methoxyphenyl)-3-methyl-1,2,4-oxadiazole