7-(benzyloxy)-3-methyl-5-nitro-1H-indole

Base Information

Chemical Name:7-(benzyloxy)-3-methyl-5-nitro-1H-indole
CAS No.:127028-21-1
Molecular Formula:C16H14 N2 O3
Molecular Weight:282.29396
Hs Code.:
DSSTox Substance ID:DTXSID30560389
Wikidata:Q82443513
Mol file:127028-21-1.mol

Synonyms:7-(benzyloxy)-3-methyl-5-nitro-1H-indole;127028-21-1;3-methyl-5-nitro-7-phenylmethoxy-1H-indole;7-BENZYLOXY-3-METHYL-5-NITROINDOLE;DTXSID30560389;AKOS015965021

Suppliers and Price of 7-(benzyloxy)-3-methyl-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

American Custom Chemicals Corporation
7-BENZYLOXY-3-METHYL-5-NITROINDOLE 95.00%
5MG
$ 499.72

Total 1 raw suppliers

Chemical Property of 7-(benzyloxy)-3-methyl-5-nitro-1H-indole

Chemical Property:

Vapor Pressure:7.2E-10mmHg at 25°C
Refractive Index:1.679
Boiling Point:506.1°C at 760 mmHg
Flash Point:259.9°C
PSA：70.84000
Density:1.314g/cm³
LogP:4.48670
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:282.10044231
Heavy Atom Count:21
Complexity:365

Purity/Quality:: 7-BENZYLOXY-3-METHYL-5-NITROINDOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CNC2=C1C=C(C=C2OCC3=CC=CC=C3)[N+](=O)[O-]

Technology Process of 7-(benzyloxy)-3-methyl-5-nitro-1H-indole

There total 8 articles about 7-(benzyloxy)-3-methyl-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: 96.0%

: 133471-77-9
2-(benzyloxy)-6-bromo-4-nitro-N-(2-propenyl)aniline

: 127028-21-1
7-(benzyloxy)-3-methyl-5-nitroindole

Guidance literature:: With tetrabutylammomium bromide; triethylamine; palladium diacetate; In N,N-dimethyl-formamide; for 24h; Ambient temperature;
DOI:10.1021/jo00009a023

Reference yield: 74.0%

: 127028-19-7
N-Acetyl-N-allyl-2-(benzyloxy)-6-bromo-4-nitroanilin

: 127028-21-1
7-(benzyloxy)-3-methyl-5-nitroindole

: 127028-20-0
1-Acetyl-7-(benzyloxy)-3-methyl-5-nitroindol

Guidance literature:: With tributyl-amine; Pd(OAc)2P(Tol₃)2; In toluene; for 48h; Heating;
DOI:10.1002/hlca.19890720717

Reference yield:

: 127028-17-5
2-(benzyloxy)-6-bromo-4-nitro-aniline

: 127028-21-1
7-(benzyloxy)-3-methyl-5-nitroindole

Guidance literature:: Multi-step reaction with 4 steps

1: 87 percent / 4-(dimethylamino)pyridine / 48 h / 100 °C

2: 98 percent / NaOH / methanol / 2 h / Ambient temperature

3: 60 percent / Na₂CO₃ / dimethylformamide / 20 h / Heating

4: 18 percent / Bu₃N, Pd(OAc)2P(Tol₃)2 / toluene / 48 h / Heating

With dmap; sodium hydroxide; tributyl-amine; Pd(OAc)2P(Tol₃)2; sodium carbonate; In methanol; N,N-dimethyl-formamide; toluene;
DOI:10.1002/hlca.19890720717