2-{5-[3-(6-Benzoyl-1-propylnaphthalen-2-yloxy)propoxy]indol-1-YL}ethanoic acid

Base Information

Chemical Name:2-{5-[3-(6-Benzoyl-1-propylnaphthalen-2-yloxy)propoxy]indol-1-YL}ethanoic acid
CAS No.:853652-40-1
Molecular Formula:C₃₃H₃₁NO₅
Molecular Weight:521.613
Hs Code.:
UNII:ZYD7UQ32SY
ChEMBL ID:CHEMBL201880
Metabolomics Workbench ID:149122
Nikkaji Number:J3.122.340G
Pharos Ligand ID:KFQGVA8K3QCJ
Wikidata:Q27095435

Synonyms:853652-40-1;CAY10573;2-{5-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPOXY]INDOL-1-YL}ETHANOIC ACID;CHEMBL201880;2-[5-[3-(6-benzoyl-1-propylnaphthalen-2-yl)oxypropoxy]indol-1-yl]acetic acid;(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-1H-INDOL-1-YL)ACETIC ACID;[5-(3-{[6-(phenylcarbonyl)-1-propylnaphthalen-2-yl]oxy}propoxy)-1h-indol-1-yl]acetic acid;2f4b;ZYD7UQ32SY;SCHEMBL4241044;BDBM50181911;AKOS040756058;DB04689;NS00070789;Q27095435;1H-Indole-1-acetic acid, 5-[3-[(6-benzoyl-1-propyl-2-naphthalenyl)oxy]propoxy]-;2-(5-(3-((6-Benzoyl-1-propylnaphthalen-2-yl)oxy)propoxy)-1H-indol-1-yl)acetic acid;2-(5-(3-(6-(Phenylcarbonyl)-1-propyl-naphthalen-2-yl)oxypropoxy)indol-1-yl)ethanoic acid;2-(5-(3-(6-benzoyl-1-propylnaphthalen-2-yloxy)propoxy)-1H-indol-1-yl)acetic acid

Suppliers and Price of 2-{5-[3-(6-Benzoyl-1-propylnaphthalen-2-yloxy)propoxy]indol-1-YL}ethanoic 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 5 raw suppliers

Chemical Property of 2-{5-[3-(6-Benzoyl-1-propylnaphthalen-2-yloxy)propoxy]indol-1-YL}ethanoic acid

Chemical Property:

XLogP3:7.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:521.22022309
Heavy Atom Count:39
Complexity:797

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC1=C(C=CC2=C1C=CC(=C2)C(=O)C3=CC=CC=C3)OCCCOC4=CC5=C(C=C4)N(C=C5)CC(=O)O

Technology Process of 2-{5-[3-(6-Benzoyl-1-propylnaphthalen-2-yloxy)propoxy]indol-1-YL}ethanoic acid

There total 9 articles about 2-{5-[3-(6-Benzoyl-1-propylnaphthalen-2-yloxy)propoxy]indol-1-YL}ethanoic 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%

: 874988-38-2
methyl 2-{5-[3-(6-benzoyl-1-propylnaphthalen-2-yloxy)propoxy]indol-1-yl}ethanoate

: 853652-40-1
{5-[3-(6-benzoyl-1-propyl-naphthalen-2-yloxy)-propoxy]-indol-1-yl}-acetic acid

Guidance literature:: With lithium hydroxide; In methanol; for 2h; Heating;
DOI:10.1021/jm0510373

Reference yield:

: 874988-41-7
(6-allyloxy-naphthalen-2-yl)-phenyl-methanone

: 853652-40-1
{5-[3-(6-benzoyl-1-propyl-naphthalen-2-yloxy)-propoxy]-indol-1-yl}-acetic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 95 percent / 1,2-dichloro-benzene / 0.25 h / 250 °C / microwave irradiation

2: 97 percent / H₂ / Pd/C / ethyl acetate / 2 h / 2280 Torr

3: 75 percent / K₂CO₃; KI / dimethylformamide / 2 h / 110 °C

4: 68 percent / K₂CO₃; KI / acetonitrile / 12 h / Heating

5: 85 percent / aq. LiOH / methanol / 2 h / Heating

With lithium hydroxide; hydrogen; potassium carbonate; potassium iodide; palladium on activated charcoal; In methanol; ethyl acetate; N,N-dimethyl-formamide; 1,2-dichloro-benzene; acetonitrile; 1: Claisen rearrangement;
DOI:10.1021/jm0510373

Reference yield:

: 874988-42-8
5-allyl-6-hydroxy-2-benzoylnaphthalene

: 853652-40-1
{5-[3-(6-benzoyl-1-propyl-naphthalen-2-yloxy)-propoxy]-indol-1-yl}-acetic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 97 percent / H₂ / Pd/C / ethyl acetate / 2 h / 2280 Torr

2: 75 percent / K₂CO₃; KI / dimethylformamide / 2 h / 110 °C

3: 68 percent / K₂CO₃; KI / acetonitrile / 12 h / Heating

4: 85 percent / aq. LiOH / methanol / 2 h / Heating

With lithium hydroxide; hydrogen; potassium carbonate; potassium iodide; palladium on activated charcoal; In methanol; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm0510373