1-(tert-Butoxy)-2-nitrobenzene

Base Information

Chemical Name:1-(tert-Butoxy)-2-nitrobenzene
CAS No.:83747-12-0
Molecular Formula:C10H13NO3
Molecular Weight:195.218
Hs Code.:2909309090
DSSTox Substance ID:DTXSID20451257
Nikkaji Number:J1.094.434A
Wikidata:Q82271191
Mol file:83747-12-0.mol

Synonyms:1-(tert-Butoxy)-2-nitrobenzene;83747-12-0;Benzene, 1-(1,1-dimethylethoxy)-2-nitro-;1-[(2-methylpropan-2-yl)oxy]-2-nitrobenzene;1-tert-butoxy-2-nitrobenzene;t-butoxynitrobenzene;1-Nitro-2-tert-butoxybenzene;SCHEMBL1554822;DTXSID20451257;FKHYLJDIYZVNQU-UHFFFAOYSA-N;AKOS006314301;BS-24277;FT-0720303

Suppliers and Price of 1-(tert-Butoxy)-2-nitrobenzene

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

Crysdot
1-(tert-Butoxy)-2-nitrobenzene 97%
5g
$ 414.00

American Custom Chemicals Corporation
1-TERT-BUTOXY-2-NITROBENZENE 95.00%
5MG
$ 499.63

Total 4 raw suppliers

Chemical Property of 1-(tert-Butoxy)-2-nitrobenzene

Chemical Property:

Boiling Point:286.1±13.0 °C(Predicted)
PSA：55.05000
Density:1.116±0.06 g/cm3(Predicted)
LogP:3.29530
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:195.08954328
Heavy Atom Count:14
Complexity:204

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

1-(tert-Butoxy)-2-nitrobenzene 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC1=CC=CC=C1[N+](=O)[O-]

Technology Process of 1-(tert-Butoxy)-2-nitrobenzene

There total 12 articles about 1-(tert-Butoxy)-2-nitrobenzene 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: 99.0%

: 1493-27-2,127723-77-7
ortho-nitrofluorobenzene

: 75-65-0
tert-butyl alcohol

: 83747-12-0
2-(tert-butoxy)-1-nitrobenzene

Guidance literature:: With potassium hexamethylsilazane; In tetrahydrofuran; at 0 - 23 ℃; for 2h;
DOI:10.1021/jo981647t

Reference yield: 99.0%

: 865-47-4
potassium tert-butylate

: 1493-27-2,127723-77-7
ortho-nitrofluorobenzene

: 83747-12-0
2-(tert-butoxy)-1-nitrobenzene

Guidance literature:: In tetrahydrofuran; at 0 - 23 ℃; for 2h;
DOI:10.1021/jo981647t

Reference yield: 90.0%

: 91-23-6
2-Nitroanisole

: 75-65-0
tert-butyl alcohol

: 83747-12-0
2-(tert-butoxy)-1-nitrobenzene

Guidance literature:: tert-butyl alcohol; With potassium tert-butylate; at 90 ℃; Inert atmosphere;

2-Nitroanisole; With 4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane; at 90 ℃; for 12h; Reagent/catalyst; Temperature; Inert atmosphere;
DOI:10.1002/ejoc.201901779