ChemicalBook > CAS DataBase List > 2-tert-butyl-5-nitro-1H-indole

2-tert-butyl-5-nitro-1H-indole

Product Name
2-tert-butyl-5-nitro-1H-indole
CAS No.
174274-85-2
Chemical Name
2-tert-butyl-5-nitro-1H-indole
Synonyms
2-tert-Butyl-5-nitroindole;2-tert-butyl-5-nitro-1H-indole;2-(1,1-dimethylethyl)-5-nitro-1H-Indole;1H-Indole, 2-(1,1-diMethylethyl)-5-nitro-
CBNumber
CB21512324
Molecular Formula
C12H14N2O2
Formula Weight
218.25
MOL File
174274-85-2.mol
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2-tert-butyl-5-nitro-1H-indole Property

Boiling point:
377.0±22.0 °C(Predicted)
Density 
1.209
storage temp. 
Sealed in dry,Room Temperature
pka
15.98±0.30(Predicted)
InChI
InChI=1S/C12H14N2O2/c1-12(2,3)11-7-8-6-9(14(15)16)4-5-10(8)13-11/h4-7,13H,1-3H3
InChIKey
KWEGNNIENUBTCE-UHFFFAOYSA-N
SMILES
N1C2=C(C=C([N+]([O-])=O)C=C2)C=C1C(C)(C)C
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Safety

HS Code 
2933998090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Biosynth Carbosynth
Product number
FB141432
Product name
2-(tert-Butyl)-5-nitro-1H-indole
Packaging
250mg
Price
$125
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB141432
Product name
2-(tert-Butyl)-5-nitro-1H-indole
Packaging
500mg
Price
$220
Updated
2021/12/16
Biosynth Carbosynth
Product number
FB141432
Product name
2-(tert-Butyl)-5-nitro-1H-indole
Packaging
1g
Price
$381.25
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0365215
Product name
2-TERT-BUTYL-5-NITRO-1H-INDOLE
Purity
95.00%
Packaging
5MG
Price
$495.68
Updated
2021/12/16
AK Scientific
Product number
9010AA
Product name
2-(tert-Butyl)-5-nitro-1H-indole
Packaging
1g
Price
$564
Updated
2021/12/16
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2-tert-butyl-5-nitro-1H-indole Chemical Properties,Usage,Production

Synthesis

682357-48-8

174274-85-2

The reaction was carried out in the presence of copper(I) iodide (1.2 mg, 6.3 μmol) in DMF (45 mL) at reflux for 6 h. The reaction was carried out in the presence of 2-(3,3-dimethyl-1-butyn-1-yl)-4-nitroaniline (2.7 g, 12.4 mmol). Upon completion of the reaction, volatiles were removed by distillation under reduced pressure and the black residue obtained was purified by silica gel column chromatography (eluent: 20% ethyl acetate/hexane). The target product was collected and ground with hexane to give 2.34 g (87% yield) of 2-tert-butyl-5-nitroindole as a yellow crystalline solid. The product was confirmed by 1H NMR (CDCl3): δ 8.51 (d, J = 1.9 Hz, 1H), 8.33 (br s, 1H), 8.07 (dd, J = 8.9, 2.3 Hz, 1H), 7.35 (d, J = 8.8 Hz, 1H), 6.44 (d, J = 1.9 Hz, 1H), 1.44 (s, 9H). Mass spectrometry (MS) showed a molecular ion peak m/z of 219 ([MH]+).

References

[1] Patent: WO2004/35571, 2004, A1. Location in patent: Page 25

2-tert-butyl-5-nitro-1H-indole Preparation Products And Raw materials

Raw materials

Preparation Products

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174274-85-2, 2-tert-butyl-5-nitro-1H-indoleRelated Search:


  • 2-tert-butyl-5-nitro-1H-indole
  • 2-tert-Butyl-5-nitroindole
  • 1H-Indole, 2-(1,1-diMethylethyl)-5-nitro-
  • 2-(1,1-dimethylethyl)-5-nitro-1H-Indole
  • 174274-85-2