DL-N-((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-phenylalanine

Base Information

Chemical Name:DL-N-((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-phenylalanine
CAS No.:76823-26-2
Molecular Formula:C₂₈H₂₅ClN₂O₅
Molecular Weight:504.97
Hs Code.:
DSSTox Substance ID:DTXSID50998145
Nikkaji Number:J3.350.244C
Wikidata:Q76155842
ChEMBL ID:CHEMBL429229

Synonyms:BRN 5366294;N-Indomethacyl-D,L-beta-phenylalanine;Alanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-phenyl-, DL-;DL-N-((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-phenylalanine;DL-Phenylalanine, N-((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-;76823-26-2;C28H25ClN2O5;CHEMBL429229;DTXSID50998145;C28-H25-Cl-N2-O5;LS-15939;N-[1-(4-Chlorobenzoyl)-2-methyl-5-methoxy-1H-indole-3-ylacetyl]-L-phenylalanine;N-{2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-1-hydroxyethylidene}phenylalanine

Suppliers and Price of DL-N-((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-phenylalanine

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 DL-N-((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-phenylalanine

Chemical Property:

Vapor Pressure:3.4E-21mmHg at 25°C
Boiling Point:710.6°Cat760mmHg
Flash Point:383.6°C
Density:1.3g/cm³
XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:504.1451996
Heavy Atom Count:36
Complexity:780

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NC(CC4=CC=CC=C4)C(=O)O
Isomeric SMILES:CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O

Technology Process of DL-N-((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-phenylalanine

There total 3 articles about DL-N-((1-(p-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-3-phenylalanine 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: 55.0%

: 1149724-09-3
1-(1H-benzo[d][1,2,3]triazol-1-yl)-2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]ethan-1-one

: 63-91-2,25191-15-5,658-69-5,67675-33-6
L-phenylalanine

: 140225-92-9,76823-26-2
(2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-L-phenylalanine

Guidance literature:: With triethylamine; In water; acetonitrile; at 20 ℃; for 16h;
DOI:10.1039/c4ob01681e

Reference yield:

: 63-91-2,25191-15-5,658-69-5,67675-33-6
L-phenylalanine

: 104425-42-5
[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid 2,5-dioxopyrrolidin-1-yl ester

: 140225-92-9,76823-26-2
(2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-L-phenylalanine

Guidance literature:: With borate buffer; In 1,4-dioxane; for 2h; Yield given;
DOI:10.1021/jm00085a012

Reference yield:

: 53-86-1
[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid

: 140225-92-9,76823-26-2
(2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)-L-phenylalanine

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) DCC / 1.) 1,4-dioxane, 15 min, 2.) 1,4-dioxane, 24 h

2: borate buffer (pH 8.5) / dioxane / 2 h

With borate buffer; dicyclohexyl-carbodiimide; In 1,4-dioxane;
DOI:10.1021/jm00085a012