5-ethyl-1H-indole-2-carboxylic acid

Base Information

• Chemical Name: 5-ethyl-1H-indole-2-carboxylic acid
• CAS No.: 37033-93-5
• Molecular Formula: C11H11NO2
• Molecular Weight: 189.214
• Hs Code.: 2933990090
• European Community (EC) Number: 636-835-8
• NSC Number: 111170
• DSSTox Substance ID: DTXSID30296717
• Wikidata: Q82037434
• Mol file: 37033-93-5.mol

Synonyms:37033-93-5;5-ethyl-1H-indole-2-carboxylic acid;5-ETHYLINDOLE-2-CARBOXYLIC ACID;NSC111170;SCHEMBL1144864;5-ethyl-2-indolecarboxylic acid;DTXSID30296717;5-ethyl-indole-2-carboxylic acid;SJOATWVSOUYAPP-UHFFFAOYSA-N;5-ethyl-1H-2-indolecarboxylic acid;BBL020586;MFCD00065293;STK893275;AKOS001476197;NSC-111170;s12053;NCGC00340816-01;VS-07105;BB 0248944;CS-0205918;FT-0620372;E-7928;AB01333455-02;A823504

Chemical Property of 5-ethyl-1H-indole-2-carboxylic acid

Chemical Property:

• Appearance/Colour: Off-white to yellow powder.
• Vapor Pressure: 6.6E-08mmHg at 25°C
• Melting Point: 181-185oC
• Refractive Index: 1.67
• Boiling Point: 422.9 °C at 760 mmHg
• Flash Point: 209.6 °C
• PSA: 53.09000
• Density: 1.285 g/cm³
• LogP: 2.42850
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 189.078978594
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

5-Ethylindole-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=CC2=C(C=C1)NC(=C2)C(=O)O

Technology Process of 5-ethyl-1H-indole-2-carboxylic acid

There total 5 articles about 5-ethyl-1H-indole-2-carboxylic acid 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%

methyl 5-ethylindole-2-carboxylate (796870-93-4) → 5-ethyl-1H-indole-2-carboxylic acid (37033-93-5)

Guidance literature:

With potassium hydroxide; water; In ethanol; at 80 ℃; for 0.5h;

Reference yield: 92.0%

ethyl 5-ethylindole-2-carboxylate (37033-94-6) → 5-ethyl-1H-indole-2-carboxylic acid (37033-93-5)

Guidance literature:

ethyl 5-ethylindole-2-carboxylate; With sodium hydroxide; In 1,4-dioxane; water; at 20 ℃; for 48h;

With hydrogenchloride; In water;

Reference yield:

2-oxo-propionic acid (127-17-3) + 4-ethyl-2-iodoaniline (280773-47-9) → 5-ethyl-1H-indole-2-carboxylic acid (37033-93-5)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; palladium diacetate; In N,N-dimethyl-formamide; at 105 ℃; for 4h;

DOI:10.1016/j.bmcl.2003.09.022

upstream raw materials:

ethyl 5-ethylindole-2-carboxylate

2-oxo-propionic acid

4-ethyl-2-iodoaniline

4-aminoethylbenzene

Downstream raw materials:

benzyl 5-ethyl-1-(methoxycarbonylmethyl)-1H-2-indolecarboxylate

5-ethyl-1H-indole

5-ethenyl-1H-indole

Refernces

• 1、 -. "Novel triazole derivatives, process for their preparation and pharmaceutical compositions containing them". Page 14. . Retrieved 2010/02/06.