2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic Acid

Base Information

Chemical Name:2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic Acid
CAS No.:16401-76-6
Molecular Formula:C20H19NO4
Molecular Weight:337.375
Hs Code.:
ChEMBL ID:CHEMBL179587
DSSTox Substance ID:DTXSID70466331
Wikidata:Q82292870
Mol file:16401-76-6.mol

Synonyms:CHEMBL179587;SCHEMBL2600801;DTXSID70466331;2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic Acid;BDBM50427629;16401-76-6

Suppliers and Price of 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic 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
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price

Total 1 raw suppliers

Chemical Property of 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic Acid

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:337.13140809
Heavy Atom Count:25
Complexity:500

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)N2C(=C(C3=C2C=CC(=C3)OC)CC(=O)O)C

Technology Process of 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic Acid

There total 5 articles about 2-[5-methoxy-2-methyl-1-(4-methylbenzoyl)indol-3-yl]acetic 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%

: 1412449-37-6
methyl 2-(5-methoxy-2-methyl-1-(4-methylbenzoyl)-1H-indol-3-yl)acetate

: 16401-76-6
2-(5-methoxy-2-methyl-1-(4-methylbenzoyl)-1H-indol-3-yl)acetic acid

Guidance literature:: With trimethyl-tin hydroxide; In 1,2-dichloro-ethane; at 130 ℃; for 0.5h; Inert atmosphere; Microwave irradiation;
DOI:10.1016/j.tet.2012.08.044 DOI:10.1016/j.tet.2012.08.044

Reference yield: 24.0%

: 19501-58-7
4-methoxyphenylhydrazine hydrochloride

: 874-60-2
4-methyl-benzoyl chloride

: 123-76-2
levulinic acid

: 16401-76-6
2-(5-methoxy-2-methyl-1-(4-methylbenzoyl)-1H-indol-3-yl)acetic acid

Guidance literature:: 4-methoxyphenylhydrazine hydrochloride; With polystyrene aldehyde resin; triethylamine; In 1,2-dichloro-ethane; at 45 ℃;

4-methyl-benzoyl chloride; With pyridine; at 80 ℃;

levulinic acid; With trifluoroacetic acid; In 1,2-dichloro-ethane; at 70 ℃;
DOI:10.1021/jm0499099

Reference yield:

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

: 16401-76-6
2-(5-methoxy-2-methyl-1-(4-methylbenzoyl)-1H-indol-3-yl)acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; triethylamine / dichloromethane / 0.08 h / 20 °C

1.2: 20 °C

2.1: sodium t-butanolate / tetrahydrofuran / 0.42 h / 0 - 5 °C

2.2: 20 °C

3.1: trimethyl-tin hydroxide / 1,2-dichloro-ethane / 0.5 h / 130 °C / Inert atmosphere; Microwave irradiation

With bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; trimethyl-tin hydroxide; triethylamine; sodium t-butanolate; In tetrahydrofuran; dichloromethane; 1,2-dichloro-ethane;
DOI:10.1016/j.tet.2012.08.044 DOI:10.1016/j.tet.2012.08.044