3-Iodo-2-naphthoic acid

Base Information

• Chemical Name: 3-Iodo-2-naphthoic acid
• CAS No.: 63212-42-0
• Molecular Formula: C11H7IO2
• Molecular Weight: 298.08
• DSSTox Substance ID: DTXSID10466658
• Nikkaji Number: J1.373.285J
• Wikidata: Q82293262
• Mol file: 63212-42-0.mol

Synonyms:3-iodo-2-naphthoic acid;63212-42-0;3-iodonaphthalene-2-carboxylic Acid;2-Naphthalenecarboxylic acid, 3-iodo-;3-iodo-2-napthoic acid;SCHEMBL4985416;DTXSID10466658;DZBGUIUMPUTEMS-UHFFFAOYSA-N;3-iodonaphthalene-2-carboxylicAcid;AMY17359;3-Iodo-naphthalene-2-carboxylic acid;AKOS028114145;AS-58008;FT-0738897;EN300-88633;W19073;A1-08263;Z415735024

Chemical Property of 3-Iodo-2-naphthoic acid

Chemical Property:

• Melting Point: 214 °C
• Boiling Point: 388.1±25.0 °C(Predicted)
• PKA: 2.86±0.30(Predicted)
• PSA: 37.30000
• Density: 2.02 g/cm3
• LogP: 3.14260
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 297.94908
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

3-Iodo-2-naphthoic acid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)O)I

Technology Process of 3-Iodo-2-naphthoic acid

There total 2 articles about 3-Iodo-2-naphthoic 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: 55.0%

(4'-methoxyphenyl)-2-naphthyliodonium-3-carboxylate (127140-75-4) + 2,3,4,5-tetraphenylcyclopenta-2,4-dienone (479-33-4) → para-iodoanisole (696-62-8) + 3-iodo-2-naphthoic acid (63212-42-0) + 1,2,3,4-tetraphenylanthracene (1488-38-6) + naphthalene-2-carboxylate (93-09-4)

Guidance literature:

at 240 - 250 ℃; for 0.333333h;

DOI:10.1016/S0040-4020(01)85138-3

Reference yield:

(4'-methoxyphenyl)-2-naphthyliodonium-3-carboxylate (127140-75-4) → 3-iodo-2-naphthoic acid (63212-42-0) + β-naphthol (135-19-3) + 3-Hydroxy-2-naphthoic acid (92-70-6)

Guidance literature:

With bromobenzene; hydrogen bromide; Multistep reaction; 1.) reflux, 48 h; 2.) glacial acetic acid, reflux, 48 h;

DOI:10.1016/S0040-4020(01)85138-3

Reference yield: 71.0%

3-iodo-2-naphthoic acid (63212-42-0) + 4-Aminobenzonitrile (873-74-5) → 3-iodo-naphthalene-2-carboxylic acid (4-cyano-phenyl)-amide (301684-00-4)

Guidance literature:

With dmap; phosphorus trichloride; In xylene; at 150 ℃; for 1.5h;

DOI:10.1016/S0040-4039(00)01016-9

upstream raw materials:

(4'-methoxyphenyl)-2-naphthyliodonium-3-carboxylate

2,3,4,5-tetraphenylcyclopenta-2,4-dienone

Downstream raw materials:

3-(2-Carboxymethyl-phenoxy)-naphthalene-2-carboxylic acid

3-iodo-naphthalene-2-carboxylic acid (4-cyano-phenyl)-amide

2-amino-3-iodonaphthalene

Methyl 3-(4-methyl-1-(4-toluenesulfonyl)pyrazol-5-yl)-2-naphthoate