2-Tert-butyl-6-fluoro-5-nitro-1H-indole

Base Information

Chemical Name:2-Tert-butyl-6-fluoro-5-nitro-1H-indole
CAS No.:952664-72-1
Molecular Formula:C₁₂H₁₃FN₂O₂
Molecular Weight:236.246
Hs Code.:
DSSTox Substance ID:DTXSID60697753
Wikidata:Q82627758
Mol file:952664-72-1.mol

Synonyms:2-TERT-BUTYL-6-FLUORO-5-NITRO-1H-INDOLE;952664-72-1;2-(tert-Butyl)-6-fluoro-5-nitro-1h-indole;SCHEMBL1465935;DTXSID60697753;IVMMPLNJIJIRPW-UHFFFAOYSA-N;2-tert-butyl-6-fluoro-5-nitro-1H-indol;C93196;A845257

Suppliers and Price of 2-Tert-butyl-6-fluoro-5-nitro-1H-indole

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

Total 4 raw suppliers

Chemical Property of 2-Tert-butyl-6-fluoro-5-nitro-1H-indole

Chemical Property:

Boiling Point:389.4±37.0 °C(Predicted)
PKA:15.37±0.30(Predicted)
PSA：61.61000
Density:1.279±0.06 g/cm3(Predicted)
LogP:4.03590
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:236.09610582
Heavy Atom Count:17
Complexity:311

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC2=CC(=C(C=C2N1)F)[N+](=O)[O-]

Technology Process of 2-Tert-butyl-6-fluoro-5-nitro-1H-indole

There total 4 articles about 2-Tert-butyl-6-fluoro-5-nitro-1H-indole 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: 65.0%

: 952664-71-0
N-(2-(3,3-dimethylbut-1-ynyl)-5-fluoro-4-nitrophenyl)butyramide

: 952664-72-1
2-tert-butyl-6-fluoro-5-nitro-1H-indole

Guidance literature:: With tetrabutyl ammonium fluoride; In N,N-dimethyl-formamide; at 100 ℃;

Reference yield:

: 2369-13-3
3-fluoro-4-nitroaniline

: 952664-72-1
2-tert-butyl-6-fluoro-5-nitro-1H-indole

Guidance literature:: Multi-step reaction with 4 steps

1: bromine / chloroform; acetic acid

2: CuI; triethylamine / Pd(PPh₃)2Cl₂ / water; toluene

3: triethylamine / dichloromethane

4: tetrabutyl ammonium fluoride / N,N-dimethyl-formamide

With CuI; tetrabutyl ammonium fluoride; bromine; triethylamine; Pd(PPh₃)2Cl₂; In dichloromethane; chloroform; water; acetic acid; N,N-dimethyl-formamide; toluene;

Reference yield:

: 952664-69-6
2-bromo-5-fluoro-4-nitroaniline

: 952664-72-1
2-tert-butyl-6-fluoro-5-nitro-1H-indole

Guidance literature:: Multi-step reaction with 3 steps

1: CuI; triethylamine / Pd(PPh₃)2Cl₂ / water; toluene

2: triethylamine / dichloromethane

3: tetrabutyl ammonium fluoride / N,N-dimethyl-formamide

With CuI; tetrabutyl ammonium fluoride; triethylamine; Pd(PPh₃)2Cl₂; In dichloromethane; water; N,N-dimethyl-formamide; toluene;