Methyl 2-tert-butyl-5-nitro-1H-indole-7-carboxylate

Base Information

Chemical Name:Methyl 2-tert-butyl-5-nitro-1H-indole-7-carboxylate
CAS No.:952665-00-8
Molecular Formula:C₁₄H₁₆N₂O₄
Molecular Weight:276.292
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90700961
Wikidata:Q82632491
Mol file:952665-00-8.mol

Synonyms:METHYL 2-TERT-BUTYL-5-NITRO-1H-INDOLE-7-CARBOXYLATE;952665-00-8;SCHEMBL1466537;DTXSID90700961;CAMMTUHPGSXTMO-UHFFFAOYSA-N;A845264

Suppliers and Price of Methyl 2-tert-butyl-5-nitro-1H-indole-7-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

Total 2 raw suppliers

Chemical Property of Methyl 2-tert-butyl-5-nitro-1H-indole-7-carboxylate

Chemical Property:

Boiling Point:443.1±40.0 °C(Predicted)
PKA:14.39±0.30(Predicted)
PSA：87.91000
Density:1.265±0.06 g/cm3(Predicted)
LogP:3.68340
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:276.11100700
Heavy Atom Count:20
Complexity:399

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(=CC(=C2N1)C(=O)OC)[N+](=O)[O-]

Technology Process of Methyl 2-tert-butyl-5-nitro-1H-indole-7-carboxylate

There total 6 articles about Methyl 2-tert-butyl-5-nitro-1H-indole-7-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: 70.0%

: 67-56-1
methanol

: 952664-99-2
2-tert-butyl-5-nitro-1H-indole-7-carboxylic acid

: 952665-00-8
methyl 2-tert-butyl-5-nitro-1H-indole-7-carboxylate

Guidance literature:: With thionyl chloride; at 0 - 80 ℃; for 12h;

Reference yield: 70.0%

: 952664-99-2
2-tert-butyl-5-nitro-1H-indole-7-carboxylic acid

: 952665-00-8
methyl 2-tert-butyl-5-nitro-1H-indole-7-carboxylate

Guidance literature:: With thionyl chloride; In methanol; ethyl acetate; Petroleum ether;

Reference yield:

: 17601-94-4
2-amino-3-bromo-5-nitrobenzonitrile

: 952665-00-8
methyl 2-tert-butyl-5-nitro-1H-indole-7-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: CuI / Pd(PPh₃)2Cl₂ / ethyl acetate; triethylamine; Petroleum ether

2: tetrabutyl ammonium fluoride / tetrahydrofuran; water

3: KOH / ethanol; ethyl acetate; Petroleum ether

4: thionyl chloride / methanol; ethyl acetate; Petroleum ether

With thionyl chloride; KOH; CuI; tetrabutyl ammonium fluoride; Pd(PPh₃)2Cl₂; In tetrahydrofuran; methanol; ethanol; water; ethyl acetate; triethylamine; Petroleum ether;