N-Butyl-5-nitro-2-(2-propynyloxy)benzamide

Base Information

Chemical Name:N-Butyl-5-nitro-2-(2-propynyloxy)benzamide
CAS No.:68505-93-1
Molecular Formula:C14H16N2O4
Molecular Weight:276.292
Hs Code.:
European Community (EC) Number:270-928-0
DSSTox Substance ID:DTXSID90988161
Nikkaji Number:J326.660E
Wikidata:Q82976621
Mol file:68505-93-1.mol

Synonyms:N-Butyl-5-nitro-2-(2-propynyloxy)benzamide;68505-93-1;EINECS 270-928-0;DTXSID90988161;N-Butyl-5-nitro-2-[(prop-2-yn-1-yl)oxy]benzene-1-carboximidic acid

Suppliers and Price of N-Butyl-5-nitro-2-(2-propynyloxy)benzamide

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 4 raw suppliers

Chemical Property of N-Butyl-5-nitro-2-(2-propynyloxy)benzamide

Chemical Property:

Vapor Pressure:2.86E-08mmHg at 25°C
Boiling Point:449.5°C at 760 mmHg
Flash Point:225.6°C
PSA：87.64000
Density:1.191g/cm³
LogP:3.23470
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:276.11100700
Heavy Atom Count:20
Complexity:382

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCC#C

Technology Process of N-Butyl-5-nitro-2-(2-propynyloxy)benzamide

There total 3 articles about N-Butyl-5-nitro-2-(2-propynyloxy)benzamide 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: 98.0%

: 68505-92-0
N-butyl-2-chloro-5-nitro-benzamide

: 107-19-7
propargyl alcohol

: 68505-93-1
N-Butyl-5-nitro-2-(2-propynyloxy)-benzamide

Guidance literature:: With sodium hydroxide; tetrabutylammomium bromide; In toluene; at 40 ℃; for 0.5h; Product distribution; other catalysts, other NaOH concentrations, other solvents and reaction time;
DOI:10.1055/s-1982-30077

Reference yield:

: C₁₃H₇ClN₄O₄

: 68505-93-1
N-Butyl-5-nitro-2-(2-propynyloxy)-benzamide

Guidance literature:: Multi-step reaction with 2 steps

1.1: triethylamine / N,N-dimethyl-formamide / 0 - 20 °C

2.1: sodium hydride / 1,4-dioxane; mineral oil / 2 h / 70 °C / Cooling with ice; Inert atmosphere

2.2: 4 h / 70 °C / Inert atmosphere

With sodium hydride; triethylamine; In 1,4-dioxane; N,N-dimethyl-formamide; mineral oil;
DOI:10.1016/j.bmc.2012.06.026

Reference yield:

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 68505-93-1
N-Butyl-5-nitro-2-(2-propynyloxy)-benzamide

Guidance literature:: Multi-step reaction with 3 steps

1.1: dicyclohexyl-carbodiimide / N,N-dimethyl-formamide / 0.5 h / 0 °C

2.1: triethylamine / N,N-dimethyl-formamide / 0 - 20 °C

3.1: sodium hydride / 1,4-dioxane; mineral oil / 2 h / 70 °C / Cooling with ice; Inert atmosphere

3.2: 4 h / 70 °C / Inert atmosphere

With sodium hydride; triethylamine; dicyclohexyl-carbodiimide; In 1,4-dioxane; N,N-dimethyl-formamide; mineral oil;
DOI:10.1016/j.bmc.2012.06.026