5-Methoxy-2-methyl-3-indoleacetic acid

Base Information

Chemical Name:5-Methoxy-2-methyl-3-indoleacetic acid
CAS No.:2882-15-7
Molecular Formula:C12H13NO3
Molecular Weight:219.24
Hs Code.:29349990
European Community (EC) Number:220-734-7
NSC Number:97026
UNII:KY9AD0AQM0
DSSTox Substance ID:DTXSID00183009
Nikkaji Number:J306.806D
Wikidata:Q72490481
Metabolomics Workbench ID:42552
ChEMBL ID:CHEMBL1058
Mol file:2882-15-7.mol

Synonyms:(des-4-chlorobenzoyl)indomethacin;5-methoxy-2-methyl-3-indoleacetic acid;5-methoxy-methylindoleacetic acid;DBI;deschlorobenzoylindomethacin

Suppliers and Price of 5-Methoxy-2-methyl-3-indoleacetic 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

TRC
N-DeschlorobenzoylIndomethacin
1g
$ 120.00

Sigma-Aldrich
5-Methoxy-2-methyl-3-indoleacetic acid 98%
1g
$ 104.00

Sigma-Aldrich
5-Methoxy-2-methyl-3-indoleacetic acid 98%
5g
$ 296.00

Sigma-Aldrich
Indomethacin Related Compound A Pharmaceutical Secondary Standard; Certified Reference Material, certified reference material, pharmaceutical secondary standard, pkg of 50?mg
50MG
$ 499.00

Sigma-Aldrich
Indomethacin Related Compound A United States Pharmacopeia (USP) Reference Standard
25mg
$ 1260.00

Matrix Scientific
(5-Methoxy-2-methyl-1H-indol-3-yl)acetic acid 97%
10g
$ 1092.00

Matrix Scientific
(5-Methoxy-2-methyl-1H-indol-3-yl)acetic acid 97%
1g
$ 157.00

Crysdot
5-Methoxy-2-methyl-3-indoleacetic acid 98%
100g
$ 1703.00

Crysdot
5-Methoxy-2-methyl-3-indoleacetic acid 98%
25g
$ 634.00

Crysdot
5-Methoxy-2-methyl-3-indoleacetic acid 98%
10g
$ 292.00

Total 65 raw suppliers

Chemical Property of 5-Methoxy-2-methyl-3-indoleacetic acid

Chemical Property:

Appearance/Colour:slightly yellow fine crystalline powder
Vapor Pressure:6.83E-09mmHg at 25°C
Melting Point:161-163 °C(lit.)
Refractive Index:1.5270 (estimate)
Boiling Point:450.2 °C at 760 mmHg
PKA:4.22±0.30(Predicted)
Flash Point:226.1 °C
PSA：62.32000
Density:1.292g/cm³
LogP:2.11200
Storage Temp.:2-8°C
Solubility.:methanol: soluble
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:219.08954328
Heavy Atom Count:16
Complexity:269

Purity/Quality:

99%, ^*data from raw suppliers

N-DeschlorobenzoylIndomethacin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)O
Uses A metabolite of Indomethacin. Reactant for preparation of antimalarial agentsReactant for preparation of ndomethacin analogs as cyclooxygenase and lipoxygenase inhibitors with antiinflammatory activityReactant for preparation of [123I]-indomethacin derivatives as COX-2 targeted imaging agentsReactant for preparation of histone deacetylase inhibitorsReactant for preparation of 2,N6,5′-substituted adenosine derivatives as ligands for A2B adenosine receptorReactant for preparation of prostaglandin D2 receptor antagonist 5-Methoxy-2-methyl-3-indoleacetic acid was used for quantitative determination of indomethacin and its major impurities in suppository and capsule formulations by HPLC. 5-Methoxy-2-methyl-3-indoleacetic acid was used in a study to develop fast, sensitive and simultaneous determination of metabolites of serotonin using liquid chromatography with mass spectrometric detection.

Technology Process of 5-Methoxy-2-methyl-3-indoleacetic acid

There total 36 articles about 5-Methoxy-2-methyl-3-indoleacetic 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: 98.0%

: 17536-38-8
ethyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate

: 2882-15-7
5-Methoxy-2-methylindole-3-acetic acid

Guidance literature:: With water; sodium hydroxide; In ethanol; at 20 ℃; for 3h;
DOI:10.1039/c9md00173e

Reference yield: 82.0%

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

: 2882-15-7
5-Methoxy-2-methylindole-3-acetic acid

Guidance literature:: [1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid; With sodium methylate; In methanol; for 72h; Inert atmosphere;

With hydrogenchloride; In water; pH=Ca. 1; Inert atmosphere;
DOI:10.1016/j.bmc.2012.05.063