3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid

Base Information

Chemical Name:3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid
CAS No.:27699-94-1
Molecular Formula:C₁₇H₁₁NO₄
Molecular Weight:293.279
Hs Code.:
NSC Number:117023
DSSTox Substance ID:DTXSID40297654
Wikidata:Q82038910
ChEMBL ID:CHEMBL2059274
Mol file:27699-94-1.mol

Synonyms:3-[(3,4-dioxonaphthalen-1-yl)amino]benzoic acid;27699-94-1;NSC117023;CHEMBL2059274;NSC-117023;SCHEMBL13187310;DTXSID40297654;BDBM50388540;SR-01000359050;SR-01000359050-1

Suppliers and Price of 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid

Chemical Property:

Vapor Pressure:2.27E-12mmHg at 25°C
Boiling Point:537.2°C at 760 mmHg
Flash Point:278.7°C
Density:1.481g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:293.06880783
Heavy Atom Count:22
Complexity:525

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC(=C3)C(=O)O

Technology Process of 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid

There total 3 articles about 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic 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: 78.0%

: 25107-82-8
[4-(piperidin-1-yl)naphthalene-1,2-dione]

: 99-05-8,159139-79-4
meta-aminobenzoic acid

: 27699-94-1
3-(3,4-dioxo-3,4-dihydronaphthalen-1-ylamino)benzoic acid

Guidance literature:: With triethylamine; calcium chloride; In methanol; for 24h; Ambient temperature;

Reference yield:

: 23673-39-4
4-diethylamino-1,2-naphthoquinone

: 27699-94-1
3-(3,4-dioxo-3,4-dihydronaphthalen-1-ylamino)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / CaCl₂ / methanol / 1 h

2: 78 percent / CaCl₂, triethylamine / methanol / 24 h / Ambient temperature

With triethylamine; calcium chloride; In methanol;