Ethyl 3-[(diethylamino)methyl]-1h-indole-2-carboxylate

Base Information

• Chemical Name: Ethyl 3-[(diethylamino)methyl]-1h-indole-2-carboxylate
• CAS No.: 91486-86-1
• Molecular Formula: C16H22N2O2
• Molecular Weight: 274.363
• NSC Number: 115801
• DSSTox Substance ID: DTXSID30919696
• Wikidata: Q82892255
• Mol file: 91486-86-1.mol

Synonyms:91486-86-1;ethyl 3-[(diethylamino)methyl]-1h-indole-2-carboxylate;Ethyl 3-((diethylamino)methyl)-1H-indole-2-carboxylate;NSC115801;Oprea1_348017;Oprea1_391634;DTXSID30919696;CCG-21116;STK548719;AKOS000649419;NSC-115801;EU-0012774;SR-01000500430;SR-01000500430-1

Chemical Property of Ethyl 3-[(diethylamino)methyl]-1h-indole-2-carboxylate

Chemical Property:

• Vapor Pressure: 3.21E-07mmHg at 25°C
• Boiling Point: 418.7°C at 760 mmHg
• Flash Point: 207°C
• Density: 1.115g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 274.168127949
• Heavy Atom Count: 20
• Complexity: 318

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC1=C(NC2=CC=CC=C21)C(=O)OCC

Technology Process of Ethyl 3-[(diethylamino)methyl]-1h-indole-2-carboxylate

There total 3 articles about Ethyl 3-[(diethylamino)methyl]-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:

→ ethyl 2-(3-N,N-diethylaminomethylindole)carboxylate (91486-86-1)

Guidance literature:

With sulfuric acid; acetic acid;

DOI:10.1021/ja01161a075

Reference yield:

→ ethyl 2-(3-N,N-diethylaminomethylindole)carboxylate (91486-86-1)

Guidance literature:

With sulfuric acid; acetic acid;

DOI:10.1021/ja01161a075

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-carbethoxyindole (3770-50-1,117770-52-2) + diethylamine (109-89-7) → ethyl 2-(3-N,N-diethylaminomethylindole)carboxylate (91486-86-1)

Guidance literature:

With acetic acid;

DOI:10.1021/ja01104a053

upstream raw materials:

formaldehyd

2-carbethoxyindole

diethylamine

Downstream raw materials:

3-(2-benzoyl-1-cyano-1,2-dihydro-[1]isoquinolylmethyl)-indole-2-carboxylic acid ethyl ester

Indole-2-carboxylic acid