Methyl 2-(5-methoxy-1-(phenylsulfonyl)-1H-indol-2-yl)-2-oxoacetate

Base Information

• Chemical Name: Methyl 2-(5-methoxy-1-(phenylsulfonyl)-1H-indol-2-yl)-2-oxoacetate
• CAS No.: 121268-84-6
• Molecular Formula: C₁₈H₁₅NO₆S
• Molecular Weight: 373.386
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID80559627
• Wikidata: Q82442394
• Mol file: 121268-84-6.mol

Synonyms:121268-84-6;Methyl 2-(5-methoxy-1-(phenylsulfonyl)-1H-indol-2-yl)-2-oxoacetate;methyl 2-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-2-oxoacetate;methyl 2-[1-(benzenesulfonyl)-5-methoxy-1H-indol-2-yl]-2-oxoacetate;C18H15NO6S;DTXSID80559627;AKOS015908866;Methyl [1-(benzenesulfonyl)-5-methoxy-1H-indol-2-yl](oxo)acetate;Methyl2-(5-methoxy-1-(phenylsulfonyl)-1H-indol-2-yl)-2-oxoacetate;METHYL5-METHOXY-ALPHA-OXO-1-(PHENYLSULFONYL)INDOLE-2-ACETATE;1H-Indole-2-aceticacid,5-methoxy-a-oxo-1-(phenylsulfonyl)-,methyl ester

Chemical Property of Methyl 2-(5-methoxy-1-(phenylsulfonyl)-1H-indol-2-yl)-2-oxoacetate

Chemical Property:

• Vapor Pressure: 2.7E-13mmHg at 25°C
• Refractive Index: 1.616
• Boiling Point: 576.6°C at 760 mmHg
• Flash Point: 302.5°C
• PSA: 100.05000
• Density: 1.36g/cm³
• LogP: 3.32340
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 373.06200837
• Heavy Atom Count: 26
• Complexity: 637

Purity/Quality:

97% ^*data from raw suppliers

METHYL 5-METHOXY-A-OXO-1-(PHENYLSULFONYL)INDOLE-2-ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)N(C(=C2)C(=O)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

Technology Process of Methyl 2-(5-methoxy-1-(phenylsulfonyl)-1H-indol-2-yl)-2-oxoacetate

There total 1 articles about Methyl 2-(5-methoxy-1-(phenylsulfonyl)-1H-indol-2-yl)-2-oxoacetate 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:

Dimethyl oxalate (553-90-2) + 1-benzenesulfonyl-5-methoxy-1H-indole (56995-12-1) → N-(phenylsulfonyl)-2-methoxalyl-5-methoxyindole (121268-84-6)

Guidance literature:

With tert.-butyl lithium; Yield given. Multistep reaction; 1.) a) pentane, THF, -5 deg C, 20 min, b) RT, 20 min, 2.) RT, 1 h;

DOI:10.1021/jo00274a024

Reference yield:

N-(phenylsulfonyl)-2-methoxalyl-5-methoxyindole (121268-84-6) + (γ-pyridylmethyl)diphenylphosphine oxide (13119-82-9) → 1--1-carbomethoxy-2-(4-pyridyl)ethylene (121268-86-8)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) THF, reflux, 2 h, 2.) RT, 20 h;

DOI:10.1021/jo00274a024

upstream raw materials:

Dimethyl oxalate

1-benzenesulfonyl-5-methoxy-1H-indole

Downstream raw materials:

1--1-carbomethoxy-2-(4-pyridyl)ethylene