Chelidamic acid

Base Information

Chemical Name:Chelidamic acid
CAS No.:138-60-3
Molecular Formula:C7H5NO5
Molecular Weight:183.12
Hs Code.:29333990
European Community (EC) Number:205-335-8,696-564-6
NSC Number:3983
UNII:1A59BH8SXE
DSSTox Substance ID:DTXSID00160451
Nikkaji Number:J28.108E,J713.292A
Wikidata:Q2667856
ChEMBL ID:CHEMBL252909
Mol file:138-60-3.mol

Synonyms:chelidamic acid

Suppliers and Price of Chelidamic 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

TCI Chemical
Chelidamic Acid Monohydrate >95.0%(T)
5g
$ 68.00

TCI Chemical
Chelidamic Acid Monohydrate >95.0%(T)
25g
$ 198.00

Sigma-Aldrich
Chelidamic acid hydrate ≥95%, powder
5g
$ 282.00

Sigma-Aldrich
Chelidamic acid hydrate ≥95%, powder
100g
$ 2720.00

Sigma-Aldrich
Chelidamic acid hydrate ≥95%, powder
25g
$ 1080.00

Sigma-Aldrich
Chelidamic acid hydrate ≥97.0% (dried material, T), ~1?mol/mol water
25 g
$ 237.00

Sigma-Aldrich
Chelidamic acid hydrate ≥97.0% (dried material, T), ~1 mol/mol water
25g-f
$ 218.00

Sigma-Aldrich
Chelidamic acid
5g
$ 94.60

Sigma-Aldrich
Chelidamic acid
1g
$ 38.80

Matrix Scientific
4-Oxo-1,4-dihydropyridine-2,6-dicarboxylic acid 95+%
5g
$ 65.00

Total 98 raw suppliers

Chemical Property of Chelidamic acid

Chemical Property:

Appearance/Colour:Pale yellow powder.
Vapor Pressure:1.56E-08mmHg at 25°C
Melting Point:267 °C (dec.)(lit.)
Boiling Point:428.3 °C at 760 mmHg
PKA:0.12±0.40(Predicted)
Flash Point:212.8 °C
PSA：107.46000
Density:1.726 g/cm³
LogP:-0.22870
Storage Temp.:Keep in dark place,Sealed in dry,Room Temperature
XLogP3:-0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:183.01677226
Heavy Atom Count:13
Complexity:320

Purity/Quality:

99% ^*data from raw suppliers

Chelidamic Acid Monohydrate >95.0%(T) ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(NC(=CC1=O)C(=O)O)C(=O)O
Uses Chelidamic acid hydrate has been used in eluent solution as a complexing additive in high-performance chelation ion chromatography (HPCIC) for speciation of iron. It has also been used as an organic ligand for the polyoxometalate (POM)-based lanthanoid hybrid compounds.

Technology Process of Chelidamic acid

There total 2 articles about Chelidamic 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: 98.0%

: 99-32-1
chelidonic acid

: 138-60-3
chelidamic acid

Guidance literature:: With ammonia; In water; at 20 ℃; for 48h;
DOI:10.1016/j.tet.2015.06.015

Reference yield:

: 138-60-3
chelidamic acid

Guidance literature:

Reference yield: 76.0%

: 138-60-3
chelidamic acid

: 100-15-2
N-methyl(p-nitroaniline)

: 4-bromo-N²,N⁶-dimethyl-N²,N⁶-bis(2-nitrophenyl)pyridine-2,6-dicarboxamide

Guidance literature:: chelidamic acid; With phosphorus pentabromide; at 90 ℃; for 3h; Schlenk technique; Inert atmosphere;

N-methyl(p-nitroaniline); With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 50 ℃; for 16h; Schlenk technique; Inert atmosphere;
DOI:10.1021/acs.inorgchem.9b03163