N-sec-Butyl-3,4-dimethyl-2,6-dinitroaniline

Base Information

Chemical Name:N-sec-Butyl-3,4-dimethyl-2,6-dinitroaniline
CAS No.:40318-45-4
Molecular Formula:C₁₂H₁₇N₃O₄
Molecular Weight:267.285
Hs Code.:
UNII:9OOO16J234
DSSTox Substance ID:DTXSID40865993
Nikkaji Number:J16.020B
Wikidata:Q27272834
Mol file:40318-45-4.mol

Synonyms:40318-45-4;N-sec-Butyl-3,4-dimethyl-2,6-dinitroaniline;N-sec-Butyl-2,6-dinitro-3,4-xylidine;Caswell No. 128FA;UNII-9OOO16J234;9OOO16J234;EPA Pesticide Chemical Code 228600;AC 92,390;Benzenamine, 3,4-dimethyl-N-(1-methylpropyl)-2,6-dinitro-;AC-92390;SCHEMBL11215144;DTXSID40865993;NKPDMJBXCFNGSC-UHFFFAOYSA-N;N-sec-butyl-3,4dimethyl-2,6-dinitroaniline;(-)-N-sec-Butyl-2,6-dinitro-3,4-xylidine;Q27272834;3,4-Dimethyl-N-(1-methylpropyl)-2,6-dinitrobenzenamine

Suppliers and Price of N-sec-Butyl-3,4-dimethyl-2,6-dinitroaniline

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
3,4-Dimethyl-N-(1-methylpropyl)-2,6-dinitrobenzenamine
10mg
$ 150.00

Total 0 raw suppliers

Chemical Property of N-sec-Butyl-3,4-dimethyl-2,6-dinitroaniline

Chemical Property:

Melting Point:41-45°C
PSA：103.67000
LogP:4.44960
Storage Temp.:Refrigerator, under inert atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:4.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:267.12190603
Heavy Atom Count:19
Complexity:339

Purity/Quality:: 3,4-Dimethyl-N-(1-methylpropyl)-2,6-dinitrobenzenamine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
Uses 3,4-Dimethyl-N-(1-methylpropyl)-2,6-dinitrobenzenamine is a herbicide.

Technology Process of N-sec-Butyl-3,4-dimethyl-2,6-dinitroaniline

There total 8 articles about N-sec-Butyl-3,4-dimethyl-2,6-dinitroaniline 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:

: 95-64-7
4-amino-o-xylene

: 40318-45-4,57883-07-5,57883-09-7
N-(2-butyl)-3,4-dimethyl-2,6-dinitroaniline

Guidance literature:: Multi-step reaction with 5 steps

1: benzene

2: sulfuric acid; nitric acid

3: sulfuric acid

4: sodium hydroxide; sodium chloride; sodium nitrite / copper(I) chloride / hydrogenchloride; sulfuric acid; water; acetic acid

5: hydrogenchloride / 5,5-dimethyl-1,3-cyclohexadiene; water

With hydrogenchloride; sodium hydroxide; sulfuric acid; nitric acid; sodium chloride; sodium nitrite; copper(I) chloride; In hydrogenchloride; 5,5-dimethyl-1,3-cyclohexadiene; sulfuric acid; water; acetic acid; benzene;

Reference yield:

: 95-64-7
4-amino-o-xylene

: 69738-05-2
C₁₂H₁₆N₄O₅

: 40318-45-4,57883-07-5,57883-09-7
N-(2-butyl)-3,4-dimethyl-2,6-dinitroaniline

Guidance literature:: Multi-step reaction with 2 steps

1: platinum on carbon; naphthalene-2-sulfonate; hydrogen / 1 h / 60 - 70 °C / 3750.38 - 7500.75 Torr / Autoclave; Inert atmosphere

2: nitric acid / 1,2-dichloro-ethane; water / 1 h / 90 °C

With naphthalene-2-sulfonate; platinum on carbon; hydrogen; nitric acid; In water; 1,2-dichloro-ethane;
DOI:10.1039/c2gc36652e