Ethyl 5-nitroindole-2-carboxylate

Base Information

Chemical Name:Ethyl 5-nitroindole-2-carboxylate
CAS No.:16732-57-3
Molecular Formula:C11H10N2O4
Molecular Weight:234.211
Hs Code.:29349990
European Community (EC) Number:674-199-3
NSC Number:131897
DSSTox Substance ID:DTXSID80299657
Wikidata:Q72476355
Mol file:16732-57-3.mol

Synonyms:ethyl 5-nitroindole-2-carboxylate;16732-57-3;ethyl 5-nitro-1H-indole-2-carboxylate;5-nitroindole-2-carboxylic acid ethyl ester;ethyl-5-nitroindole-2-carboxylate;1H-Indole-2-carboxylic acid, 5-nitro-, ethyl ester;MFCD00216477;2-Ethoxycarbonyl-5-nitroindole;NSC131897;Oprea1_174962;SCHEMBL656156;Ethyl 5-Nitroindole-2-Carbonate;AMY9797;DTXSID80299657;DVFJMQCNICEPAI-UHFFFAOYSA-N;ethyl 5-nitro-2-indolecarboxylate;BCP31397;STR05636;STK365349;AKOS005135664;ethyl5-nitro-1H-indole-2-carboxylate;AC-7290;CCG-236934;CS-W006357;ethyl 5-nitro-1H-indole 2-carboxylate;NSC-131897;PS-4214;SY005499;5-nitro-2-indolecarboxylic acid ethyl ester;A3709;E1176;FT-0637413;5-nitro-indole-2-carboxylic acid ethyl ester;ethyl 5-nitroindole-2-carboxylate, AldrichCPR;ETHYL-5-NITRO-1H-INDOLE-2-CARBOXYLATE;N-3303;5-Nitroindole-2-carboxylic acid ethyl ester;Ethyl 5-nitro-1H-indole-2-carboxylate

Suppliers and Price of Ethyl 5-nitroindole-2-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Ethyl 5-Nitroindole-2-carboxylate
2.5g
$ 120.00

TCI Chemical
Ethyl 5-Nitroindole-2-carboxylate
1G
$ 127.00

SynQuest Laboratories
Ethyl 5-nitro-1H-indole-2-carboxylate
100 g
$ 912.00

SynQuest Laboratories
Ethyl 5-nitro-1H-indole-2-carboxylate
25 g
$ 304.00

SynQuest Laboratories
Ethyl 5-nitro-1H-indole-2-carboxylate
10 g
$ 152.00

Oakwood
Ethyl5-nitro-1H-indole-2-carboxylate
1g
$ 14.00

Matrix Scientific
Ethyl 5-nitroindole-2-carboxylate 98%
1g
$ 14.00

Matrix Scientific
Ethyl 5-nitroindole-2-carboxylate 98%
5g
$ 68.00

Labseeker
5-NITROINDOLE-2-CARBOXYLICACIDETHYLESTER 97
10g
$ 415.00

Frontier Specialty Chemicals
Ethyl5-nitro-1H-indole-2-carboxylate 98%
10g
$ 490.00

Total 80 raw suppliers

Chemical Property of Ethyl 5-nitroindole-2-carboxylate

Chemical Property:

Appearance/Colour:yellow to brown powder
Vapor Pressure:1.4E-07mmHg at 25°C
Melting Point:220-225 °C
Refractive Index:1.652
Boiling Point:429.5 °C at 760 mmHg
PKA:13.26±0.30(Predicted)
Flash Point:213.5 °C
PSA：87.91000
Density:1.393 g/cm³
LogP:2.77600
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
Water Solubility.:negligible
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:234.06405680
Heavy Atom Count:17
Complexity:315

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 5-Nitroindole-2-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38-41-36
Safety Statements: 24/25-39-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC2=C(N1)C=CC(=C2)[N+](=O)[O-]
Uses Ethyl 5-Nitroindole-2-carboxylate is used as a reagent in the synthesis of indol-2-yl ethanones as novel indoleamine 2,3-dioxygenase (IDO) inhibitors. Ethyl 5-Nitroindole-2-carboxylate is also a useful synthetic intermediate in the synthesis of Delavirdine which is a bisheteroarylpiperazine (BHAP) reverse transcriptase inhibitor.

Technology Process of Ethyl 5-nitroindole-2-carboxylate

There total 11 articles about Ethyl 5-nitroindole-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: 93.0%

: 2999-46-4
Ethyl isocyanoacetate

: 84459-32-5
2-bromo-5-nitrobenzaldehyde

: 16732-57-3
5-nitro-indole-2-carboxylic acid ethyl ester

Guidance literature:: With copper(l) iodide; In dimethyl sulfoxide; at 50 ℃; for 0.166667h; Ionic liquid; Inert atmosphere; Microwave irradiation; Sealed tube;
DOI:10.1590/S0103-50532011001100003