2-Naphthalenecarboxylic acid, 1-hydroxy-4-nitro-, phenyl ester

Base Information

• Chemical Name: 2-Naphthalenecarboxylic acid, 1-hydroxy-4-nitro-, phenyl ester
• CAS No.: 65208-34-6
• Molecular Formula: C17H11 N O5
• Molecular Weight: 309.278
• European Community (EC) Number: 265-630-2
• UNII: 109J94O5FE
• DSSTox Substance ID: DTXSID5070284
• Wikidata: Q81997524
• Mol file: 65208-34-6.mol

Synonyms:Phenyl 1-hydroxy-4-nitro-2-naphthoate;65208-34-6;2-Naphthalenecarboxylic acid, 1-hydroxy-4-nitro-, phenyl ester;109J94O5FE;EINECS 265-630-2;phenyl 1-hydroxy-4-nitronaphthalene-2-carboxylate;UNII-109J94O5FE;DTXSID5070284;SCHEMBL10489198;4-nitro-2-phenoxycarbonyl-1-naphthol

Chemical Property of 2-Naphthalenecarboxylic acid, 1-hydroxy-4-nitro-, phenyl ester

Chemical Property:

• Vapor Pressure: 1.34E-10mmHg at 25°C
• Melting Point: 159-160 °C
• Boiling Point: 499.5°C at 760 mmHg
• PKA: 4.05±0.50(Predicted)
• Flash Point: 255.9°C
• PSA: 92.35000
• Density: 1.423g/cm³
• LogP: 4.19600
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 309.06372245
• Heavy Atom Count: 23
• Complexity: 443

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)[N+](=O)[O-])O

Technology Process of 2-Naphthalenecarboxylic acid, 1-hydroxy-4-nitro-, phenyl ester

There total 3 articles about 2-Naphthalenecarboxylic acid, 1-hydroxy-4-nitro-, phenyl ester 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:

1-hydroxy-4-nitro-[2]naphthoic acid (71436-06-1) → 1-hydroxy-4-nitro-[2]naphthoic acid phenyl ester (65208-34-6)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene; phosphorus (V)-chloride

With phosphorus pentachloride; benzene;

Reference yield:

methyl 1-hydroxy-4-nitro-2-naphthoate (708238-05-5) → 1-hydroxy-4-nitro-[2]naphthoic acid phenyl ester (65208-34-6)

Guidance literature:

Multi-step reaction with 3 steps

1: aq.-ethanolic NaOH-solution

2: benzene; phosphorus (V)-chloride

With sodium hydroxide; phosphorus pentachloride; benzene;

Reference yield:

1-hydroxy-4-nitro-[2]naphthoyl chloride (858431-42-2) + phenol (108-95-2,27073-41-2) → 1-hydroxy-4-nitro-[2]naphthoic acid phenyl ester (65208-34-6)

Guidance literature:

upstream raw materials:

1-hydroxy-4-nitro-[2]naphthoyl chloride

phenol

1-hydroxy-4-nitro-[2]naphthoic acid

methyl 1-hydroxy-4-nitro-2-naphthoate