p-Nitrobenzyl propionate

Base Information

Chemical Name:p-Nitrobenzyl propionate
CAS No.:30039-44-2
Molecular Formula:C10H11 N O4
Molecular Weight:0
Hs Code.:2915509000
UNII:JJ90EM9PMV
DSSTox Substance ID:DTXSID50184102
Nikkaji Number:J691.351B
Wikidata:Q83054975
Mol file:30039-44-2.mol

Synonyms:p-Nitrobenzyl propionate;30039-44-2;Benzenemethanol, 4-nitro-, propanoate;(4-nitrophenyl)methyl propanoate;JJ90EM9PMV;4-Nitrobenzenemethanol propanoate;CCRIS 7960;4-Nitrobenzenemethanol propionate;UNII-JJ90EM9PMV;SCHEMBL6141237;SCHEMBL13296291;DTXSID50184102;PROPIONIC ACID, P-NITROBENZYL ESTER;BENZENEMETHANOL, 4-NITRO-, 1-PROPANOATE

Suppliers and Price of p-Nitrobenzyl propionate

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 3 raw suppliers

Chemical Property of p-Nitrobenzyl propionate

Chemical Property:

Vapor Pressure:0.00035mmHg at 25°C
Boiling Point:318.9°Cat760mmHg
Flash Point:141.9°C
PSA：72.12000
Density:1.226g/cm³
LogP:2.57120
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:209.06880783
Heavy Atom Count:15
Complexity:228

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of p-Nitrobenzyl propionate

There total 4 articles about p-Nitrobenzyl propionate 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: 81.0%

: 619-73-8
4-nitrobenzyl chloride

: diethyl 1-propionyl-1,4-dihydropyridine-3,5-dicarboxylate

: 30039-44-2
4-nitrobenzyl propionate

Guidance literature:: diethyl 1-propionyl-1,4-dihydropyridine-3,5-dicarboxylate; With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; for 0.5h;

4-nitrobenzyl chloride; With dmap; In dichloromethane; for 19.5h;
DOI:10.1039/c4ob01931h

Reference yield: 58.0%

: 30039-44-2
4-nitrobenzyl propionate

Guidance literature:: at 65 ℃; for 2h;

Reference yield:

: 72-03-7
propanoate

: 100-11-8
1-bromomethyl-4-nitro-benzene

: 30039-44-2
4-nitrobenzyl propionate

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