2-(1-Methyl-1H-indol-3-YL)-2-oxoacetic acid methyl ester

Base Information

Chemical Name:2-(1-Methyl-1H-indol-3-YL)-2-oxoacetic acid methyl ester
CAS No.:151490-40-3
Molecular Formula:C12H11 N O3
Molecular Weight:217.224
Hs Code.:
European Community (EC) Number:625-742-8
DSSTox Substance ID:DTXSID30403449
Nikkaji Number:J996.989F
Wikidata:Q82207133
Mol file:151490-40-3.mol

Synonyms:151490-40-3;2-(1-METHYL-1H-INDOL-3-YL)-2-OXOACETIC ACID METHYL ESTER;Methyl (1-methylindolyl)-3-glyoxylate;methyl 2-(1-methylindol-3-yl)-2-oxoacetate;methyl 2-(1-methyl-1H-indol-3-yl)-2-oxoacetate;methyl (1-methyl-1H-indol-3-yl)(oxo)acetate;SCHEMBL990668;DTXSID30403449;SBHIWUQNUXJUMN-UHFFFAOYSA-N;FT-0643472;Methyl (1-methylindolyl)-3-glyoxylate, 97%;A809179;J-008811;(1-methyl-1H-indol-3-yl)-oxo-acetic acid methyl ester;2-(1-methylindole-3-yl)-2-oxoacetic acid, methyl ester

Suppliers and Price of 2-(1-Methyl-1H-indol-3-YL)-2-oxoacetic acid methyl ester

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
Methyl (1-methylindolyl)-3-glyoxylate
500mg
$ 85.00

Sigma-Aldrich
Methyl (1-methylindolyl)-3-glyoxylate 97%
5g
$ 160.00

American Custom Chemicals Corporation
METHYL (1-METHYLINDOLYL)-3-GLYOXYLATE 95.00%
5G
$ 959.89

AK Scientific
2-(1-Methyl-1H-indol-3-yl)-2-oxoaceticacidmethylester
5g
$ 266.00

AHH
2-(1-Methyl-1H-indol-3-yl)-2-oxoaceticacidmethylester 98%
100g
$ 960.00

Total 10 raw suppliers

Chemical Property of 2-(1-Methyl-1H-indol-3-YL)-2-oxoacetic acid methyl ester

Chemical Property:

Vapor Pressure:1.15E-05mmHg at 25°C
Melting Point:96-100 °C(lit.)
Refractive Index:1.578
Boiling Point:369.9°C at 760 mmHg
Flash Point:177.5°C
PSA：48.30000
Density:1.21g/cm³
LogP:1.53400
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:217.07389321
Heavy Atom Count:16
Complexity:303

Purity/Quality:

97% ^*data from raw suppliers

Methyl (1-methylindolyl)-3-glyoxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=C(C2=CC=CC=C21)C(=O)C(=O)OC
Uses Reactant for synthesis of sotrastaurin analogs 1 Reactant for preparation of protein kinase C (PKC) inhibitors 2 Reactant for preparation of indolyl diols. Reactant for synthesis of sotrastaurin analogsReactant for preparation of protein kinase C (PKC) inhibitorsReactant for preparation of indolyl diols

Technology Process of 2-(1-Methyl-1H-indol-3-YL)-2-oxoacetic acid methyl ester

There total 9 articles about 2-(1-Methyl-1H-indol-3-YL)-2-oxoacetic acid methyl ester 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: 91.0%

: 18372-22-0
2-(3-indolyl)oxoacetic acid methyl ester

: 74-88-4
methyl iodide

: 151490-40-3
methyl 2-(1-methyl-1H-indol-3-yl)-2-oxoacetate

Guidance literature:: 2-(3-indolyl)oxoacetic acid methyl ester; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 0.5h;

methyl iodide; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃;
DOI:10.1021/acsmedchemlett.6b00405

Reference yield: 60.1%

: 603-76-9
1-methylindole

: 79-37-8
oxalyl dichloride

: 124-41-4
sodium methylate

: 151490-40-3
methyl 2-(1-methyl-1H-indol-3-yl)-2-oxoacetate

Guidance literature:: 1-methylindole; oxalyl dichloride; In diethyl ether; at 0 - 5 ℃; for 1h;

sodium methylate; In methanol; at -30 - 20 ℃; for 0.5h;

Reference yield:

: 603-76-9
1-methylindole

: 151490-40-3
methyl 2-(1-methyl-1H-indol-3-yl)-2-oxoacetate

Guidance literature:: Multi-step reaction with 2 steps

1: diethyl ether / 0.5 h / 0 - 5 °C

2: 2.93 g / diethyl ether; methanol / -65 - 20 °C

In methanol; diethyl ether; 1: Acylation / 2: Esterification;
DOI:10.1021/jo980513c