2-Oxo-3-(phenylacetylamino)-3,4-dihydro-2H-1-benzopyran-7-carboxylic acid

Base Information

Chemical Name:2-Oxo-3-(phenylacetylamino)-3,4-dihydro-2H-1-benzopyran-7-carboxylic acid
CAS No.:220504-73-4
Molecular Formula:C₁₈H₁₅NO₅
Molecular Weight:325.321
Hs Code.:
DSSTox Substance ID:DTXSID601139361
Nikkaji Number:J1.095.375H
ChEMBL ID:CHEMBL1161692

Synonyms:CHEMBL1161692;DTXSID601139361;2-Oxo-3-(phenylacetylamino)-3,4-dihydro-2H-1-benzopyran-7-carboxylic acid;3,4-Dihydro-2-oxo-3-[(2-phenylacetyl)amino]-2H-1-benzopyran-7-carboxylic acid;220504-73-4

Suppliers and Price of 2-Oxo-3-(phenylacetylamino)-3,4-dihydro-2H-1-benzopyran-7-carboxylic 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 0 raw suppliers

Chemical Property of 2-Oxo-3-(phenylacetylamino)-3,4-dihydro-2H-1-benzopyran-7-carboxylic acid

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:325.09502258
Heavy Atom Count:24
Complexity:500

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C(C(=O)OC2=C1C=CC(=C2)C(=O)O)NC(=O)CC3=CC=CC=C3

Technology Process of 2-Oxo-3-(phenylacetylamino)-3,4-dihydro-2H-1-benzopyran-7-carboxylic acid

There total 6 articles about 2-Oxo-3-(phenylacetylamino)-3,4-dihydro-2H-1-benzopyran-7-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: 85.0%

: 220504-71-2
rac-N-(phenylacetyl)-4-carboxy-2-hydroxyphenylalanine

: 220504-73-4
7-carboxy-3-(phenylacetamido)-3,4-dihydro-2H-1-benzopyran-2-one

Guidance literature:: at 180 ℃; for 0.0833333h;
DOI:10.1021/jo980564+

Reference yield:

: 88744-17-6
phenylacetylaminomalonic acid diethyl ester

: 220504-73-4
7-carboxy-3-(phenylacetamido)-3,4-dihydro-2H-1-benzopyran-2-one

Guidance literature:: Multi-step reaction with 5 steps

1: 95 percent / NaH / dimethylformamide; tetrahydrofuran / 0.5 h

2: aq. NaOH / ethanol / 6 h / Ambient temperature

3: TFA / CH₂Cl₂ / 2 h

4: 180 °C

5: 85 percent / 0.08 h / 180 °C

With sodium hydroxide; sodium hydride; trifluoroacetic acid; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jo980564+

Reference yield:

: t-butyl 3-acetoxy-4-(bromomethyl)benzoate

: 220504-73-4
7-carboxy-3-(phenylacetamido)-3,4-dihydro-2H-1-benzopyran-2-one

Guidance literature:: Multi-step reaction with 5 steps

1: 95 percent / NaH / dimethylformamide; tetrahydrofuran / 0.5 h

2: aq. NaOH / ethanol / 6 h / Ambient temperature

3: TFA / CH₂Cl₂ / 2 h

4: 180 °C

5: 85 percent / 0.08 h / 180 °C

With sodium hydroxide; sodium hydride; trifluoroacetic acid; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jo980564+