2-Naphthalenecarboxylic acid, 7-(1H-imidazol-1-yl)-

Base Information

• Chemical Name: 2-Naphthalenecarboxylic acid, 7-(1H-imidazol-1-yl)-
• CAS No.: 95355-07-0
• Molecular Formula: C₁₄H₁₀N₂O₂
• Molecular Weight: 238.246
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID40241814
• Wikidata: Q83125381
• Mol file: 95355-07-0.mol

Synonyms:95355-07-0;BRN 4749370;7-(1H-Imidazol-1-yl)-2-naphthoic acid;2-Naphthalenecarboxylic acid, 7-(1H-imidazol-1-yl)-;7-(1H-Imidazol-1-yl)-2-naphthalenecarboxylic acid;SCHEMBL9812342;DTXSID40241814;LS-94521;7-(1H-imidazol-1-yl)naphthalene-2-carboxylic acid

Chemical Property of 2-Naphthalenecarboxylic acid, 7-(1H-imidazol-1-yl)-

Chemical Property:

• Vapor Pressure: 3.47E-10mmHg at 25°C
• Boiling Point: 484.2°Cat760mmHg
• Flash Point: 246.6°C
• PSA: 55.12000
• Density: 1.3g/cm³
• LogP: 2.72370
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 238.074227566
• Heavy Atom Count: 18
• Complexity: 321

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CC(=C2)N3C=CN=C3)C(=O)O

Technology Process of 2-Naphthalenecarboxylic acid, 7-(1H-imidazol-1-yl)-

There total 5 articles about 2-Naphthalenecarboxylic acid, 7-(1H-imidazol-1-yl)- 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:

2-(1-imidazolyl)-1,2,3,4-tetrahydro-7-carboxy-1-naphthalenol (85929-03-9) → 7-(1H-imidazol-1-yl)-2-naphthalenecarboxylic acid (95355-07-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 71 percent / conc. H₂SO₄ / acetic acid / 4 h / 100 °C

2: 72 percent / SOCl₂ / 24 h / Heating

3: 2.67 g / sulfur / 8 h / 130 °C

4: 2.17 g / 0.5 N methanolic KOH

With potassium hydroxide; thionyl chloride; sulfuric acid; sulfur; In acetic acid;

DOI:10.1016/0223-5234(91)90103-T

Reference yield:

ethyl 7-(1H-imidazol-1-yl)-2-naphthalencarboxylate (95355-05-8) → 7-(1H-imidazol-1-yl)-2-naphthalenecarboxylic acid (95355-07-0)

Guidance literature:

With potassium hydroxide;

DOI:10.1016/0223-5234(91)90103-T

Reference yield:

5,6-dihydro-7-(1H-imidazol-1-yl)-2-naphthalenecarboxylic acid (89781-55-5) → 7-(1H-imidazol-1-yl)-2-naphthalenecarboxylic acid (95355-07-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 72 percent / SOCl₂ / 24 h / Heating

2: 2.67 g / sulfur / 8 h / 130 °C

3: 2.17 g / 0.5 N methanolic KOH

With potassium hydroxide; thionyl chloride; sulfur;

DOI:10.1016/0223-5234(91)90103-T

upstream raw materials:

ethyl 7-(1H-imidazol-1-yl)-2-naphthalencarboxylate

5,6-dihydro-7-(1H-imidazol-1-yl)-2-naphthalenecarboxylic acid

2-(1-imidazolyl)-1,2,3,4-tetrahydro-7-carboxy-1-naphthalenol

ethyl 5,6-dihydro-7-(1H-imidazol-1-yl)-2-naphthalene carboxylate