methyl 4,7-dimethoxy-1H-indole-2-carboxylate

Base Information

• Chemical Name: methyl 4,7-dimethoxy-1H-indole-2-carboxylate
• CAS No.: 187607-71-2
• Molecular Formula: C12H13NO4
• Molecular Weight: 235.23600
• DSSTox Substance ID: DTXSID10405800
• Nikkaji Number: J2.133.334D
• Mol file: 187607-71-2.mol

Synonyms:methyl 4,7-dimethoxy-1H-indole-2-carboxylate;187607-71-2;4,7-Dimethoxy-1H-indole-2-carboxylic acid methyl ester;1H-Indole-2-carboxylic acid, 4,7-dimethoxy-, methyl ester;methyl 4,7-dimethoxyindole-2-carboxylate;SCHEMBL644452;DTXSID10405800;ZBAZNJDNQVSIIU-UHFFFAOYSA-N;BBL020596;MFCD04966958;STK893285;AKOS000123976;CS-0361854;methyl4,7-dimethoxy-1H-indole-2-carboxylate;EN300-6499064

Chemical Property of methyl 4,7-dimethoxy-1H-indole-2-carboxylate

Chemical Property:

• PSA: 60.55000
• LogP: 1.97170
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 235.08445790
• Heavy Atom Count: 17
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

4,7-Dimethoxy-1H-indole-2-carboxylicacidmethylester 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C=C(NC2=C(C=C1)OC)C(=O)OC

Technology Process of methyl 4,7-dimethoxy-1H-indole-2-carboxylate

There total 4 articles about methyl 4,7-dimethoxy-1H-indole-2-carboxylate 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: 95.0%

C12H13N3O4 → methyl 4,7-dimethoxyindole-2-carboxylate (187607-71-2)

Guidance literature:

With tris(acetylacetonato)ruthenium(III); In tetrahydrofuran; at 60 ℃; for 4h;

Reference yield: 88.0%

methyl 2-azido-3-(2',5'-dimethoxyphenyl)-propenoate → methyl 4,7-dimethoxyindole-2-carboxylate (187607-71-2)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; for 2.75h; Reflux;

DOI:10.1016/j.tet.2014.06.087

Reference yield: 74.7%

→ methyl 4,7-dimethoxyindole-2-carboxylate (187607-71-2)

Guidance literature:

upstream raw materials:

2,5-dimethoxybenzaldehyde

Refernces

• 1、 Bingul, Murat,Cheung, Belamy B.,Kumar, Naresh,Black, David StC.. "Synthesis of symmetrical and unsymmetrical diindolylmethanes via acid-catalysed electrophilic substitution reactions". . p. 7363 - 7369. Retrieved 2017/09/12.