Ethyl 1H-indole-3-carbimidate

Base Information

• Chemical Name: Ethyl 1H-indole-3-carbimidate
• CAS No.: 19747-79-6
• Molecular Formula: C11H12N2O
• Molecular Weight: 188.23
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20425296
• Mol file: 19747-79-6.mol

Synonyms:Ethyl 1H-indole-3-carbimidate;19747-79-6;ETHYL 1H-INDOLE-3-CARBOXIMIDATE;1H-INDOLE-3-CARBOXIMIDIC ACID ETHYL ESTER;1H-Indole-3-carboximidic acid, ethyl ester;(Z)-ethoxy(indol-3-ylidene)methanamine;ethyl indol-3-carboximidate;Oprea1_256585;Ethyl1H-indole-3-carbimidate;SCHEMBL3136891;DTXSID20425296;ethyl 1H-indole-3-carboximidoate;AKOS006275966;1-Ethoxy-1-(3H-indol-3-ylidene)methanamine;D87920;A848115;AI-981/34479008

Chemical Property of Ethyl 1H-indole-3-carbimidate

Chemical Property:

• PSA: 47.61000
• LogP: 2.20220
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 188.094963011
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

1h-indole-3-carboximidicacidethylester 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=N)C1=CNC2=CC=CC=C21

Technology Process of Ethyl 1H-indole-3-carbimidate

There total 3 articles about Ethyl 1H-indole-3-carbimidate 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: 78.0%

indole-3-carboxylic acid ethyl imido ester hydrochloride (19747-78-5) → ethylimino ester of indole-3-carboxylic acid (19747-79-6)

Guidance literature:

With potassium hydroxide; In diethyl ether;

DOI:10.1007/BF00561348

Reference yield:

3-cyano-1H-indole (5457-28-3) → ethylimino ester of indole-3-carboxylic acid (19747-79-6)

Guidance literature:

With tetrahydrofuran; hydrogenchloride; ethanol;

Reference yield:

→ ethylimino ester of indole-3-carboxylic acid (19747-79-6)

Guidance literature:

3-Cyano-indol, A.;

upstream raw materials:

3-cyano-1H-indole

indole-3-carboxylic acid ethyl imido ester hydrochloride

Downstream raw materials:

Benzoic acid [1-amino-1-(1H-indol-3-yl)-meth-(Z)-ylidene]-hydrazide

indole-3-carboxylic N_⁽¹⁾-phenylamidrazone

3-cyano-1H-indole

N'-hydroxy-1H-indole-3-carboximidamide

Refernces