o-Nitrobenzyl butyrate

Base Information

Chemical Name:o-Nitrobenzyl butyrate
CAS No.:119979-38-3
Molecular Formula:C11H13 N O4
Molecular Weight:223.229
Hs Code.:
UNII:DZ3ZRQ76DL
DSSTox Substance ID:DTXSID20152631
Nikkaji Number:J1.008.675B
Wikidata:Q83019327
Mol file:119979-38-3.mol

Synonyms:o-Nitrobenzyl butyrate;CCRIS 7957;119979-38-3;DZ3ZRQ76DL;(2-Nitrophenyl)methylbutanoate;UNII-DZ3ZRQ76DL;2-NITROBENZYL BUTANOATE;SCHEMBL7458236;Butyric acid 2-nitrobenzyl ester;DTXSID20152631;Butanoic acid, (2-nitrophenyl)methyl ester;LS-189047

Suppliers and Price of o-Nitrobenzyl butyrate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of o-Nitrobenzyl butyrate

Chemical Property:

Vapor Pressure:0.000565mmHg at 25°C
Boiling Point:311.4°C at 760 mmHg
Flash Point:128.2°C
Density:1.193g/cm³
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:223.08445790
Heavy Atom Count:16
Complexity:249

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(=O)OCC1=CC=CC=C1[N+](=O)[O-]

Technology Process of o-Nitrobenzyl butyrate

There total 3 articles about o-Nitrobenzyl butyrate 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: 87.0%

: 612-23-7
2-nitrobenzyl chloride

: 107-92-6
butyric acid

: 119979-38-3
o-nitrobenzyl butyrate

Guidance literature:: With triethylamine; sodium iodide; In ethyl acetate; for 20h; Heating;
DOI:10.1016/0223-5234(90)90146-T

Reference yield: 32.0%

: 612-25-9
2-Nitrobenzyl alcohol

: 107-92-6
butyric acid

: 119979-38-3
o-nitrobenzyl butyrate

Guidance literature:: With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20 ℃; for 12h; Inert atmosphere;
DOI:10.1039/c9pp00260j

Reference yield:

: 461-55-2
butyrate

: 3958-60-9
2-nitrophenylmethyl bromide

: 119979-38-3
o-nitrobenzyl butyrate

Guidance literature:: With silica; tetrabutylammomium bromide; sodium butyrate; 2,4-dimethylpentan-3-one; In water; at 57 ℃; for 5h;
DOI:10.1016/j.mcat.2020.111335