3,7-Dihydroxy-2-naphthoic acid

Base Information

• Chemical Name: 3,7-Dihydroxy-2-naphthoic acid
• CAS No.: 83511-07-3
• Molecular Formula: C11H8O4
• Molecular Weight: 204.182
• Hs Code.: 2918290000
• European Community (EC) Number: 628-097-0
• DSSTox Substance ID: DTXSID30352988
• Nikkaji Number: J441.050E
• Wikidata: Q27095380
• Metabolomics Workbench ID: 149076
• ChEMBL ID: CHEMBL1231350
• Mol file: 83511-07-3.mol

Synonyms:3,7-DIHYDROXY-2-NAPHTHOIC ACID;83511-07-3;3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID;2,6-Dihydroxy-3-Naphthoic acid;CHEMBL1231350;BIK;3,7-dihydroxy-2-naphtoic acid;SCHEMBL124773;DTXSID30352988;QMWOUSYSNFCKAZ-UHFFFAOYSA-N;BDBM50379183;MFCD00010253;STL426758;AKOS015856275;CS-W015418;DB04641;3,7-Dihydroxy-2-naphthoic acid, 95%;AC-10857;BP-12429;DS-18250;PD005940;FT-0641906;H10875;EN300-6764042;A840595;SR-01000883718;SR-01000883718-1;Q27095380;Z1508916288

Chemical Property of 3,7-Dihydroxy-2-naphthoic acid

Chemical Property:

• Appearance/Colour: Yellow powder or beige crystalline.
• Vapor Pressure: 1.35E-08mmHg at 25°C
• Melting Point: 265 ºC (dec.)
• Refractive Index: 1.761
• Boiling Point: 442.2 °C at 760 mmHg
• Flash Point: 235.3 °C
• PSA: 77.76000
• Density: 1.535 g/cm³
• LogP: 1.94920
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 204.04225873
• Heavy Atom Count: 15
• Complexity: 253

Purity/Quality:

95% ^*data from raw suppliers

3,7-Dihydroxy-2-naphthoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36-38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=CC(=C(C=C21)O)C(=O)O)O
• Uses: 3,7-Dihydroxy-2-naphthoic acid was used in the synthesis of 3-hydroxy-7-methoxy-2-naphthoic acid.

Technology Process of 3,7-Dihydroxy-2-naphthoic acid

There total 15 articles about 3,7-Dihydroxy-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: 81.0%

sodium 2-carboxy-3-hydroxy-7-naphthalenesulfonate (26513-28-0) → 3,7-dihydroxy-2-naphthoic acid (83511-07-3)

Guidance literature:

With potassium hydroxide; at 250 - 300 ℃; for 1.5h;

DOI:10.1021/ja00389a050

Reference yield:

3-Hydroxy-2-naphthoic acid (92-70-6) → 3,7-dihydroxy-2-naphthoic acid (83511-07-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 40 percent / H₂SO₄

2: 81 percent / KOH / 1.5 h / 250 - 300 °C

With potassium hydroxide; sulfuric acid;

DOI:10.1021/ja00389a050

Reference yield:

3-hydroxy-7-sulfo-[2]naphthoic acid (15509-36-1) → 3,7-dihydroxy-2-naphthoic acid (83511-07-3)

Guidance literature:

With potassium hydroxide; at 280 - 300 ℃;

upstream raw materials:

3-hydroxy-7-sulfo-[2]naphthoic acid

7-amino-3-hydroxy-[2]naphthoic acid

2-hydroxy-3-phenylcarbamoyl-naphthalene-1,6-disulfonic acid

sodium 2-carboxy-3-hydroxy-7-naphthalenesulfonate

Downstream raw materials:

3-hydroxy-7-methoxynaphthalene-2-carboxylic acid

3,7-Dihydroxy-naphthalene-2-carboxylic acid 3-phenyl-propyl ester

3,7-bis-benzyloxynaphthalene-2-carboxylic acid benzyl ester

3,7-dihydroxy-N-[2-(4-nitrophenyl)ethyl]-2-naphthamide