N-Isopropyl-3-nitrobenzamide

Base Information

Chemical Name:N-Isopropyl-3-nitrobenzamide
CAS No.:50445-53-9
Molecular Formula:C10H12 N2 O3
Molecular Weight:208.217
Hs Code.:2924299090
NSC Number:406569
DSSTox Substance ID:DTXSID70324381
Nikkaji Number:J3.583.166E
Wikidata:Q82083995
Mol file:50445-53-9.mol

Synonyms:N-Isopropyl-3-nitrobenzamide;50445-53-9;3-nitro-N-propan-2-ylbenzamide;3-nitro-N-(propan-2-yl)benzamide;NSC406569;CBMicro_048920;Oprea1_097109;SCHEMBL13226001;DTXSID70324381;MFCD00458988;STK066602;AKOS000371465;NSC 406569;NSC-406569;SB77118;NCGC00339117-01;BS-28777;BIM-0048870.P001;CS-0210241;J3.583.166E;E78545;AB01331136-02;A871549;SR-01000197802;SR-01000197802-1

Suppliers and Price of N-Isopropyl-3-nitrobenzamide

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

TRC
N-Isopropyl-3-nitrobenzamide
100mg
$ 45.00

TRC
N-Isopropyl-3-nitrobenzamide
1g
$ 115.00

Crysdot
N-Isopropyl-3-nitrobenzamide 95+%
10g
$ 395.00

Aronis compounds
N-isopropyl-3-nitrobenzamide
50mg
$ 50.00

Aronis compounds
N-isopropyl-3-nitrobenzamide
10mg
$ 20.00

Alichem
N-Isopropyl-3-nitrobenzamide
10g
$ 418.95

AK Scientific
N-Isopropyl-3-nitrobenzamide
1g
$ 157.00

Total 10 raw suppliers

Chemical Property of N-Isopropyl-3-nitrobenzamide

Chemical Property:

Vapor Pressure:1.4E-05mmHg at 25°C
Melting Point:131-131.5 °C
Boiling Point:367.1°Cat760mmHg
PKA:13.71±0.46(Predicted)
Flash Point:175.8°C
PSA：74.92000
Density:1.189g/cm³
LogP:2.64710
Storage Temp.:2-8°C
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:208.08479225
Heavy Atom Count:15
Complexity:248

Purity/Quality:

97% ^*data from raw suppliers

N-Isopropyl-3-nitrobenzamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of N-Isopropyl-3-nitrobenzamide

There total 9 articles about N-Isopropyl-3-nitrobenzamide 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: 85.0%

: 32578-25-9
trifluoromethanesulfonic acid 3-nitrophenyl ester

: 693-13-0
diisopropyl-carbodiimide

: 50445-53-9
N-isopropyl-3-nitrobenzamide

Guidance literature:: With [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; magnesium chloride; zinc; In N,N-dimethyl-formamide; at 70 ℃; for 24h;
DOI:10.1002/ejoc.201501349

Reference yield: 82.0%

: 585-79-5
m-nitrobromobenzene

: 693-13-0
diisopropyl-carbodiimide

: 50445-53-9
N-isopropyl-3-nitrobenzamide

Guidance literature:: With [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; magnesium chloride; zinc; In N,N-dimethyl-formamide; at 70 ℃; for 24h;
DOI:10.1002/ejoc.201501349

Reference yield: 81.0%

: 75-31-0
isopropylamine

: 121-92-6
3-nitrobenzoic acid

: 50445-53-9
N-isopropyl-3-nitrobenzamide

Guidance literature:: 3-nitrobenzoic acid; With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In acetonitrile; at 20 ℃; for 0.5h; Inert atmosphere;

isopropylamine; In acetonitrile; for 12h; Inert atmosphere;