Coumarin 314

Base Information

Chemical Name:Coumarin 314
CAS No.:55804-66-5
Deprecated CAS:75496-02-5
Molecular Formula:C18H19 N O4
Molecular Weight:313.353
Hs Code.:29322985
European Community (EC) Number:259-825-1
NSC Number:338967
UNII:WM5MO60RUO
DSSTox Substance ID:DTXSID4069052
Nikkaji Number:J227.847B
Wikidata:Q27123014
ChEMBL ID:CHEMBL2000369
Mol file:55804-66-5.mol

Synonyms:coumarin 314

Suppliers and Price of Coumarin 314

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

AK Scientific
Coumarin 314
1g
$ 274.00

American Custom Chemicals Corporation
COUMARIN 314 95.00%
100MG
$ 508.00

American Custom Chemicals Corporation
COUMARIN 314 95.00%
1G
$ 710.43

Biosynth Carbosynth
Coumarin 314
2 g
$ 200.00

Biosynth Carbosynth
Coumarin 314
10 g
$ 400.00

Biosynth Carbosynth
Coumarin 314
5 g
$ 300.00

Biosynth Carbosynth
Coumarin 314
500 mg
$ 80.00

Biosynth Carbosynth
Coumarin 314
1 g
$ 120.00

Chem-Impex
Coumarin314,≥98%(HPLC),suitableforHematology&Histology ≥98%(HPLC)
500MG
$ 192.19

Crysdot
Ethyl11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate 95+%
5g
$ 386.00

Total 38 raw suppliers

Chemical Property of Coumarin 314

Chemical Property:

Vapor Pressure:7.83E-12mmHg at 25°C
Melting Point:140-144 °C(lit.)
Refractive Index:1.63
Boiling Point:542.5 °C at 760 mmHg
PKA:5.37±0.40(Predicted)
Flash Point:281.9 °C
PSA：59.75000
Density:1.33g/cm³
LogP:2.73350
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:313.13140809
Heavy Atom Count:23
Complexity:543

Purity/Quality:

97% ^*data from raw suppliers

Coumarin 314 ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 36/37/38-20/21/22
Safety Statements: 37/39-26

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Dyes -> Coumarin Dyes
Canonical SMILES:CCOC(=O)C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3
Uses Coumarin 314 is a laser dye used for research purposes.Dyes and metabolites.

Technology Process of Coumarin 314

There total 2 articles about Coumarin 314 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: 79.2%

: 63149-33-7
9-formyl-8-hydroxyjulolidine

: 105-53-3
diethyl malonate

: 55804-66-5
ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f ]-pyrido[3,2,1-ij]quinoline-10-carboxylate

Guidance literature:: With piperidine; In ethanol; for 6h; Reflux;
DOI:10.1039/c4cc04192e

Reference yield:

: 41175-50-2
8-hydroxyjulolidine

: 55804-66-5
ethyl 11-oxo-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f ]-pyrido[3,2,1-ij]quinoline-10-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / POCl₃

2: 42 percent / piperidine / butan-1-ol; acetic acid

With piperidine; trichlorophosphate; In acetic acid; butan-1-ol; 1: Vilsmeier reaction / 2: Knoevenagel condensation;
DOI:10.1080/00304940109356622