1-[3-(4-Decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid

Base Information

Chemical Name:1-[3-(4-Decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid
CAS No.:888320-29-4
Molecular Formula:C₃₀H₃₇NO₇
Molecular Weight:523.626
Hs Code.:
European Community (EC) Number:889-536-1
ChEMBL ID:CHEMBL443834
Pharos Ligand ID:T5LL1SJHXFQR
Wikidata:Q27076724

Synonyms:CAY10502;888320-29-4;1-[3-(4-decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid;CHEMBL443834;compound 57 [PMID: 16610804];GTPL8771;SCHEMBL22187718;HMS3650G20;BDBM50185354;AKOS040755902;MS-29698;HY-116301;CS-0064898;SR-01000946287;SR-01000946287-1;Q27076724;1-(3-(4-(Decyloxy)phenoxy)-2-oxopropyl)-3-(methoxycarbonyl)-1H-indole-5-carboxylic acid;3-methylhydrogen 1-[3-(4-decyloxyphenoxy)-2-oxopropyl]indole-3,5-dicarboxylate

Suppliers and Price of 1-[3-(4-Decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-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 3 raw suppliers

Chemical Property of 1-[3-(4-Decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid

Chemical Property:

XLogP3:7.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:18
Exact Mass:523.25700252
Heavy Atom Count:38
Complexity:736

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)CN2C=C(C3=C2C=CC(=C3)C(=O)O)C(=O)OC

Technology Process of 1-[3-(4-Decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid

There total 5 articles about 1-[3-(4-Decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-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: 82.0%

: 921192-87-2
5-tert-butyl 3-methyl 1-[3-(4-decyloxyphenoxy)-2-oxopropyl]indole-3,5-dicarboxylate

: 888320-29-4
1-[3-(4-decyloxy-phenoxy)-2-oxo-propyl]-1H-indole-3,5-dicarboxylic acid 3-methyl ester

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 3h;
DOI:10.1021/jm051243a

Reference yield:

: 741606-33-7
tert-butyl 3-formylindole-5-carboxylate

: 888320-29-4
1-[3-(4-decyloxy-phenoxy)-2-oxo-propyl]-1H-indole-3,5-dicarboxylic acid 3-methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1.1: 94 percent / MnO₂; NaCN / 48 h / 20 °C

2.1: NaH / dimethylformamide / 20 °C

2.2: 25 percent / dimethylformamide / 26 h / 100 °C

3.1: 56 percent / acetic anhydride; DMSO / 17 h / 20 °C

4.1: 82 percent / trifluoroacetic acid / CH₂Cl₂ / 3 h / 20 °C

With manganese(IV) oxide; sodium cyanide; acetic anhydride; sodium hydride; dimethyl sulfoxide; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm051243a

Reference yield:

: 741606-39-3
5-tert-butyl 3-methyl indole-3,5-dicarboxylate

: 888320-29-4
1-[3-(4-decyloxy-phenoxy)-2-oxo-propyl]-1H-indole-3,5-dicarboxylic acid 3-methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: NaH / dimethylformamide / 20 °C

1.2: 25 percent / dimethylformamide / 26 h / 100 °C

2.1: 56 percent / acetic anhydride; DMSO / 17 h / 20 °C

3.1: 82 percent / trifluoroacetic acid / CH₂Cl₂ / 3 h / 20 °C

With acetic anhydride; sodium hydride; dimethyl sulfoxide; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm051243a