3-aminonaphthalene-1-carboxylic Acid

Base Information

• Chemical Name: 3-aminonaphthalene-1-carboxylic Acid
• CAS No.: 32018-86-3
• Molecular Formula: C11H9NO2
• Molecular Weight: 187.198
• Hs Code.: 2922499990
• European Community (EC) Number: 823-265-1
• DSSTox Substance ID: DTXSID90297503
• Nikkaji Number: J88.759E
• Wikidata: Q82038623
• Mol file: 32018-86-3.mol

Synonyms:32018-86-3;3-Amino-1-naphthoic acid;3-aminonaphthalene-1-carboxylic Acid;3-Amino-naphthalene-1-carboxylic acid;3-Amino-1-naphthoicacid;SCHEMBL690407;DTXSID90297503;YIPRQTYMJYGRER-UHFFFAOYSA-N;2-Aminonaphthalene-4-carboxylic acid;3-amino-napthalene-1-carboxylic acid;AKOS016344337;AT25659;SB36566;BB 0261326;CS-0163734;FT-0717217;EN300-68152;Z1083218600

Chemical Property of 3-aminonaphthalene-1-carboxylic Acid

Chemical Property:

• Melting Point: 179 °C
• Boiling Point: 456.1±28.0 °C(Predicted)
• PKA: pK1: 2.61;pK2: 4.39 (25°C)
• PSA: 63.32000
• Density: 1.352±0.06 g/cm3(Predicted)
• LogP: 2.70140
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.063328530
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

99.90% ^*data from raw suppliers

3-aminonaphthalene-1-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C=C2C(=O)O)N
• Uses: 3-Aminonaphthalene-1-carboxylic acid is an intermediate for herbicide antidote. A useful synthesis intermediate.

Technology Process of 3-aminonaphthalene-1-carboxylic Acid

There total 6 articles about 3-aminonaphthalene-1-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:

3-nitro-1-naphthoic acid (4507-84-0) → 3-aminonaphthalene-1-carboxylic acid (32018-86-3)

Guidance literature:

With ethanol; platinum; Hydrogenation;

Reference yield:

3-amino-1-naphthalenecarboxylic acid sodium salt → 3-aminonaphthalene-1-carboxylic acid (32018-86-3)

Guidance literature:

With sulfuric acid; In water;

Reference yield:

3-nitro-1,8-naphthalic anhydride (3027-38-1) → 3-aminonaphthalene-1-carboxylic acid (32018-86-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydroxide; mercury(I) oxide / water; acetic acid / 72 h / Heating / reflux

1.2: 4 h / Heating / reflux

2.1: sodium hydroxide; hydrogen / 10% palladium on activated carbon / ethanol / 4 h / 20 °C / 2585.81 Torr

3.1: sulfuric acid / water

With sodium hydroxide; mercury(I) oxide; sulfuric acid; hydrogen; 10% palladium on activated carbon; In ethanol; water; acetic acid;

upstream raw materials:

3-nitro-1-naphthoic acid

4-bromo-2-nitronaphthalene

3-Nitronaphthalene-1-carbonitrile

3-nitro-1,8-naphthalic anhydride

Downstream raw materials:

3-bromo-1-naphthoic acid

3-{2-[5-chloro-2-(4-bromo-2-fluorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}-1-naphthoic acid

3-{2-[5-chloro-2-(2,6-difluorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}-1-naphthoic acid

3-{2-[5-chloro-2-(2,3-difluorobenzyloxy)phenyl]-5-methyl-pyrrol-1-yl}-1-naphthoic acid