alpha-Ethyl-3-nitrocinnamicacid

Base Information

Chemical Name:alpha-Ethyl-3-nitrocinnamicacid
CAS No.:5253-02-1
Molecular Formula:C11H11 N O4
Molecular Weight:221.213
Hs Code.:2916399090
NSC Number:76042
Mol file:5253-02-1.mol

Synonyms:NSC76042;SCHEMBL1613935;EINECS 226-054-7;NSC-76042;ALPHA-ETHYL-3-NITROCINNAMICACID;NSC 163918

Suppliers and Price of alpha-Ethyl-3-nitrocinnamicacid

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 8 raw suppliers

Chemical Property of alpha-Ethyl-3-nitrocinnamicacid

Chemical Property:

Vapor Pressure:1.71E-06mmHg at 25°C
Boiling Point:381.3°Cat760mmHg
Flash Point:164.2°C
PSA：83.12000
Density:1.303g/cm³
LogP:2.99600
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:221.06880783
Heavy Atom Count:16
Complexity:306

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: R36/37/38:Irritating to eyes, respiratory system and skin.;
Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36:Wear suitable prot

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O
Isomeric SMILES:CC/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)O

Technology Process of alpha-Ethyl-3-nitrocinnamicacid

There total 2 articles about alpha-Ethyl-3-nitrocinnamicacid 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:

: 156-54-7
sodium butyrate

: 99-61-6
3-nitro-benzaldehyde

: 5253-02-1
2-(3-Nitro-benzyliden)-buttersaeure

Guidance literature:: With butanoic acid anhydride;

Reference yield:

: 5253-02-1
2-(3-Nitro-benzyliden)-buttersaeure

Guidance literature:: m-Nitrobenzaldehyd, 1.) α-Ethoxycarbonylalkylidenphosphoran (nach Wittig), 2.) Hydrolyse;

Reference yield: 79.0%

: 221044-05-9
N-(2-pyrimidyl)indole

: 5253-02-1
2-(3-Nitro-benzyliden)-buttersaeure

: (E)-2-[1-(3-nitro-benzylidene)-propyl]-1-pyrimidin-2-yl-1H-indole

Guidance literature:: With bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate; 2,2-dimethylpropanoic anhydride; In toluene; at 140 ℃; for 2h; stereoselective reaction; Inert atmosphere;
DOI:10.1039/c4cc06036a