Pamoic acid

Base Information

• Chemical Name: Pamoic acid
• CAS No.: 130-85-8
• Deprecated CAS: 108626-78-4,122541-93-9,47620-91-7,50857-36-8,67232-45-5,122541-93-9,47620-91-7,50857-36-8,67232-45-5
• Molecular Formula: C23H16O6
• Molecular Weight: 388.376
• Hs Code.: 29182990
• European Community (EC) Number: 204-998-0,685-649-3
• NSC Number: 40132,30188
• UNII: 7RRQ8QZ38N
• DSSTox Substance ID: DTXSID9048984
• Nikkaji Number: J10.641K
• Wikipedia: Pamoic_acid
• Wikidata: Q411413
• Pharos Ligand ID: TR8Q39RXS3C1
• Metabolomics Workbench ID: 57357
• ChEMBL ID: CHEMBL177880
• Mol file: 130-85-8.mol

Synonyms:4,4'-methylenebis(3-hydroxy)-2-naphthoic acid naphthalenecarboxylic acid;embonic acid;pamoic acid;pamoic acid, dicesium salt;pamoic acid, dilithium salt;pamoic acid, dipotassium salt;pamoic acid, dirubidium salt;pamoic acid, disodium salt;sodium pamoate

Chemical Property of Pamoic acid

Chemical Property:

• Appearance/Colour: Fine Yellow Powder
• Vapor Pressure: 2.13E-17mmHg at 25°C
• Melting Point: ≥300ºC (dec.)
• Refractive Index: 1.4593 (estimate)
• Boiling Point: 642.7 ºC at 760 mmHg
• PKA: 2.67±0.30(Predicted)
• Flash Point: 356.5ºC
• PSA: 115.06000
• Density: 1.499 g/cm³
• LogP: 4.39140
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in nitrobenzene, pyridine
• Water Solubility.: PRACTICALLY INSOLUBLE
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 388.09468823
• Heavy Atom Count: 29
• Complexity: 569

Purity/Quality:

99% ^*data from raw suppliers

Pamoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-48-41-37/38-20/21/22
• Safety Statements: 26-36-45-36/37/39-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
• Uses: Agonist of the orphan G protein-coupled receptor GPR35: a potent activator of extracellular signal-regulated kinase and β-arrestin2 with antinociceptive activity. Used as an inhibitor in the real-time fluorescence enzymatic characterization study of specialized human DNA polymerases. Pamoic acid is used in preparation of repository derivatives of medicinal agents, used in pharmacology to increase the solubility of a drug in water.

Technology Process of Pamoic acid

There total 7 articles about Pamoic 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: 95.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-Hydroxy-2-naphthoic acid (92-70-6) → Pamoic acid (130-85-8)

Guidance literature:

With sulfuric acid; In acetic acid; for 10h; Heating;

DOI:10.1021/jo9520654

Reference yield:

9-(3-Carboxy-2-hydroxy-naphthalen-1-ylmethyl)-2,4-dioxo-4H-1,3-dioxa-2λ5-phospha-anthracen-2-ol anion → Pamoic acid (130-85-8)

Guidance literature:

With water; at 40 ℃; Rate constant; var. pHs;

DOI:10.1021/ja00154a006

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + acetic acid (64-19-7,77671-22-8) + 3-Hydroxy-2-naphthoic acid (92-70-6) → Pamoic acid (130-85-8)

Guidance literature:

upstream raw materials:

formaldehyd

acetic acid

3-Hydroxy-2-naphthoic acid

Downstream raw materials:

3-hydroxy-4-phenylazo-[2]naphthoic acid

C₅₁H₄₀O₆

1-methyl-2-hydroxy-3-naphthoic acid

3-Hydroxy-2-naphthoic acid

Refernces

• 1、 -. "TREATMENT OF DISORDERS ASSOCIATED WITH G PROTEIN-COUPLED RECEPTOR 35 (GPR35)". Page/Page column 18. . Retrieved 2011/02/24.
• 2、 -. "Crystalline cepham acid addition salts and processes for their preparation". . . Retrieved 2008/06/13.