Methyl 1-isopropyl-1H-indole-6-carboxylate

Base Information

• Chemical Name: Methyl 1-isopropyl-1H-indole-6-carboxylate
• CAS No.: 202745-76-4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID80442444
• Wikidata: Q82259722

Synonyms:Methyl 1-isopropyl-1H-indole-6-carboxylate;202745-76-4;Methyl 1-propan-2-ylindole-6-carboxylate;Methyl1-isopropyl-1H-indole-6-carboxylate;SCHEMBL233864;DTXSID80442444;QFHTWTKDRUFTJW-UHFFFAOYSA-N;6-carbomethoxy-1-(2-propyl)indole;MFCD20489552;AM20210035;CS-0161697;FT-0704285;D81519;methyl 1-(propan-2-yl)-1H-indole-6-carboxylate;1H-Indole-6-carboxylic acid,1-(1-methylethyl)-,methyl ester

Chemical Property of Methyl 1-isopropyl-1H-indole-6-carboxylate

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 217.110278721
• Heavy Atom Count: 16
• Complexity: 265

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C=CC2=C1C=C(C=C2)C(=O)OC

Technology Process of Methyl 1-isopropyl-1H-indole-6-carboxylate

There total 4 articles about Methyl 1-isopropyl-1H-indole-6-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: 64.5%

2-iodo-propane (75-30-9) + indole-6-carboxylic acid methyl ester (50820-65-0) → methyl 1-isopropyl-1H-indole-6-carboxylate (202745-76-4)

Guidance literature:

indole-6-carboxylic acid methyl ester; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

2-iodo-propane; In N,N-dimethyl-formamide; at 80 ℃; for 5h;

DOI:10.1248/cpb.47.1538

Reference yield:

4-carbomethoxy-2-(N-2-propylamino)phenylacetaldehyde dimethylacetal (202745-75-3) → methyl 1-isopropyl-1H-indole-6-carboxylate (202745-76-4)

Guidance literature:

With hydrogenchloride; In methanol; ethyl acetate;

Reference yield:

indole-6-carboxylic acid methyl ester (50820-65-0) + isopropyl bromide (75-26-3) → methyl 1-isopropyl-1H-indole-6-carboxylate (202745-76-4)

Guidance literature:

With potassium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1039/d0ob00396d

upstream raw materials:

2-iodo-propane

indole-6-carboxylic acid methyl ester

4-carbomethoxy-2-(N-2-propylamino)phenylacetaldehyde dimethylacetal

isopropyl bromide

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