3-Nitronaphthalene-2-carboxylic acid

Base Information

• Chemical Name: 3-Nitronaphthalene-2-carboxylic acid
• CAS No.: 73428-03-2
• Molecular Formula: C₁₁H₇NO₄
• Molecular Weight: 217.181
• DSSTox Substance ID: DTXSID60506477
• Wikidata: Q82362235
• Mol file: 73428-03-2.mol

Synonyms:3-Nitronaphthalene-2-carboxylic acid;73428-03-2;3-NITRO-2-NAPHTHOIC ACID;2-Naphthalenecarboxylic acid, 3-nitro-;3-NITRO-2-NAPHTHOICACID;SCHEMBL11581177;DTXSID60506477;FT-0747518

Chemical Property of 3-Nitronaphthalene-2-carboxylic acid

Chemical Property:

• PSA: 83.12000
• LogP: 2.96940
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 217.03750770
• Heavy Atom Count: 16
• Complexity: 299

Purity/Quality:

97% ^*data from raw suppliers

3-NITRO-2-NAPHTHOIC ACID 95.00% ^*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)[N+](=O)[O-]

Technology Process of 3-Nitronaphthalene-2-carboxylic acid

There total 3 articles about 3-Nitronaphthalene-2-carboxylic 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%

ethyl 3-nitropropanoate (3590-37-2) + o-phthalic dicarboxaldehyde (643-79-8) → 3-Nitro-2-naphthoesaeure (73428-03-2)

Guidance literature:

ethyl 3-nitropropanoate; o-phthalic dicarboxaldehyde; With sodium ethanolate; In ethanol; at 20 ℃; for 12h;

With lithium hydroxide; In tetrahydrofuran; for 12h;

With hydrogenchloride; In water;

Reference yield: 92.0%

3-Nitro-2-naphthoesaeure-aethylester (77802-23-4) → 3-Nitro-2-naphthoesaeure (73428-03-2)

Guidance literature:

With sodium hydroxide; In ethanol; at 25 ℃; for 12h;

DOI:10.1021/ol0400443

Reference yield:

→ 3-Nitro-2-naphthoesaeure (73428-03-2)

Guidance literature:

3-Amino-naphthoesaeure-(2), 1.) wss. H2SO4, Diazotierung, 2.) heiss. wss. NaNO3-Lsg., Kupfersulfat, Kupfer(I)-oxid, Natriumbicarbonat;

upstream raw materials:

3-Nitro-2-naphthoesaeure-aethylester

ethyl 3-nitropropanoate

o-phthalic dicarboxaldehyde

Downstream raw materials:

3-nitronaphthalen-2-amine

2-Chlormethyl-3-nitronaphthalin

(3-nitronaphthalen-2-yl)methanol