Avenanthramide D

Base Information

Chemical Name:Avenanthramide D
CAS No.:115610-36-1
Molecular Formula:C16H13 N O4
Molecular Weight:283.284
Hs Code.:
UNII:24HT67X53Y
DSSTox Substance ID:DTXSID401316674
Nikkaji Number:J1.868.464K,J454.233I
Wikidata:Q76386900
Metabolomics Workbench ID:43754
ChEMBL ID:CHEMBL4516367
Mol file:115610-36-1.mol

Synonyms:Avenanthramide D;Avenanthramide 1p;Dianthramide P;115610-36-1;N-p-Coumarylanthranilic acid;24HT67X53Y;N-(E)-p-Coumaroylanthranilic acid;2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoic Acid;Benzoic acid, 2-((3-(4-hydroxyphenyl)-1-oxo-2-propenyl)amino)-, (E)-;UNII-24HT67X53Y;53901-55-6;CHEMBL4516367;2-(((2E)-3-(4-Hydroxyphenyl)-1-oxo-2-propen-1-yl)amino)benzoic acid;Benzoic acid, 2-(((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)amino)-;Benzoic acid, 2-((3-(4-hydroxyphenyl)-1-oxo-2-propenyl)amino)-;p-coumaroylanthranilic acid;SCHEMBL2778920;CHEBI:174705;DTXSID401316674;BDBM50512063;MFCD13554294;N-[4-Hydroxy-(E)-cinnamoyl]-anthranilic acid;2-[[3-(4-Hydroxyphenyl)acryloyl]amino]benzoic acid;2-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]benzoic acid

Suppliers and Price of Avenanthramide D

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 5 raw suppliers

Chemical Property of Avenanthramide D

Chemical Property:

PSA：86.63000
LogP:2.81530
XLogP3:3.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:283.08445790
Heavy Atom Count:21
Complexity:399

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)O)NC(=O)C=CC2=CC=C(C=C2)O
Isomeric SMILES:C1=CC=C(C(=C1)C(=O)O)NC(=O)/C=C/C2=CC=C(C=C2)O

Technology Process of Avenanthramide D

There total 10 articles about Avenanthramide D 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: 89.5%

: C₁₈H₁₅NO₅

: 115610-36-1,53901-55-6
N-(4′-hydroxy-(E)-cinnamoyl)anthranilic acid

Guidance literature:: With sodium hydroxide; for 0.5h; pH=4.5;

Reference yield: 85.0%

: 53947-84-5
2-[(2-carboxyacetyl)amino]benzoic acid

: 123-08-0,65581-83-1
4-hydroxy-benzaldehyde

: 115610-36-1,53901-55-6
N-(4′-hydroxy-(E)-cinnamoyl)anthranilic acid

Guidance literature:: With pyridine; 3-amino propanoic acid; for 1.83333h; Heating;

Reference yield:

: 525-76-8
2-methyl-4-oxo-3,1-benzoxazine

: 115610-36-1,53901-55-6
N-(4′-hydroxy-(E)-cinnamoyl)anthranilic acid

Guidance literature:: Multi-step reaction with 2 steps

1: p-toluenesulfonic acid / toluene / Heating

2: aq. Na₃PO₄ / Heating

With toluene-4-sulfonic acid; sodium phosphate; In toluene;
DOI:10.1021/jf020544f