4-(benzylamino)-2-oxo-2H-chromene-3-carbaldehyde

Base Information

Chemical Name:4-(benzylamino)-2-oxo-2H-chromene-3-carbaldehyde
CAS No.:111222-25-4
Molecular Formula:C17H13 N O3
Molecular Weight:279.295
Hs Code.:2932209090
DSSTox Substance ID:DTXSID70353131
Nikkaji Number:J2.201.098K
Wikidata:Q82130581
Mol file:111222-25-4.mol

Synonyms:4-(benzylamino)-2-oxo-2H-chromene-3-carbaldehyde;111222-25-4;4-(benzylamino)-2-oxochromene-3-carbaldehyde;4-(Benzylamino)-2-oxo-2H-1-benzopyran-3-carbaldehyde;DTXSID70353131;AQ-349/42302553

Suppliers and Price of 4-(benzylamino)-2-oxo-2H-chromene-3-carbaldehyde

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

American Custom Chemicals Corporation
4-(BENZYLAMINO)-2-OXO-2H-CHROMENE-3-CARBOXALDEHYDE 95.00%
5G
$ 1007.80

American Custom Chemicals Corporation
4-(BENZYLAMINO)-2-OXO-2H-CHROMENE-3-CARBOXALDEHYDE 95.00%
1G
$ 654.89

Total 2 raw suppliers

Chemical Property of 4-(benzylamino)-2-oxo-2H-chromene-3-carbaldehyde

Chemical Property:

Melting Point:204-205 °C(Solv: ethanol (64-17-5))
Boiling Point:592.0±50.0 °C(Predicted)
PKA:2.72±0.20(Predicted)
PSA：59.31000
Density:1.30±0.1 g/cm3(Predicted)
LogP:3.29060
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:279.08954328
Heavy Atom Count:21
Complexity:437

Purity/Quality:

97% ^*data from raw suppliers

4-(BENZYLAMINO)-2-OXO-2H-CHROMENE-3-CARBOXALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CNC2=C(C(=O)OC3=CC=CC=C32)C=O

Technology Process of 4-(benzylamino)-2-oxo-2H-chromene-3-carbaldehyde

There total 4 articles about 4-(benzylamino)-2-oxo-2H-chromene-3-carbaldehyde 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: 70.0%

: 50329-91-4
4-chloro-3-formylcoumarin

: 100-46-9
benzylamine

: 111222-25-4
4-(Benzylamino)-2-oxo-1-benzopyran-3-carbaldehyde

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 0.5h;
DOI:10.1039/c8ob00586a

Reference yield:

: 21401-60-5
N-benzyl 4-aminocoumarin

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 111222-25-4
4-(Benzylamino)-2-oxo-1-benzopyran-3-carbaldehyde

Guidance literature:: With trichlorophosphate; Yield given. Multistep reaction; 1.) 0 -> 5 deg C, 15 min, 2.) 90 deg C, 2 h;
DOI:10.1055/s-1987-27930

Reference yield:

: 1076-38-6,92395-12-5
4-hydroxy[1]benzopyran-2-one

: 111222-25-4
4-(Benzylamino)-2-oxo-1-benzopyran-3-carbaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 2.) aq. NaOH / 1.) reflux, 45 min, 2.) MeOH, room temp., 30 min

2: 1.) POCl₃ / 1.) 0 -> 5 deg C, 15 min, 2.) 90 deg C, 2 h

With sodium hydroxide; trichlorophosphate;
DOI:10.1055/s-1987-27930