Ethyl 2-cyano-2-(4-nitrophenyl)acetate

Base Information

Chemical Name:Ethyl 2-cyano-2-(4-nitrophenyl)acetate
CAS No.:91090-86-7
Molecular Formula:C₁₁H₁₀N₂O₄
Molecular Weight:234.211
Hs Code.:
UNII:Z6G7D4A9RJ
DSSTox Substance ID:DTXSID70576348
Nikkaji Number:J514.439F
Mol file:91090-86-7.mol

Synonyms:ETHYL 2-CYANO-2-(4-NITROPHENYL)ACETATE;91090-86-7;ethyl2-cyano-2-(4-nitrophenyl)acetate;Z6G7D4A9RJ;SCHEMBL2815023;AMY4846;DTXSID70576348;Ethyl cyano(4-nitrophenyl)acetate;KVRRHMXPWJVDRK-UHFFFAOYSA-N;MFCD03412571;AKOS027382659;Ethyl alpha-cyano-4-nitrobenzeneacetate;BS-24763;CS-0209108;Cyano-(4-nitro-phenyl)-acetic acid ethyl ester;Benzeneacetic acid,a-cyano-4-nitro-,ethyl ester;Benzeneacetic acid, alpha-cyano-4-nitro-, ethyl ester;METHYL3-CYANO-2-MERCAPTO-6-(METHOXYMETHYL)PYRIDINE-5-CARBOXYLATE

Suppliers and Price of Ethyl 2-cyano-2-(4-nitrophenyl)acetate

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
Ethyl2-cyano-2-(4-nitrophenyl)acetate
1g
$ 165.00

TRC
Ethyl2-cyano-2-(4-nitrophenyl)acetate
100mg
$ 45.00

Crysdot
Ethyl2-cyano-2-(4-nitrophenyl)acetate 97%
5g
$ 527.00

American Custom Chemicals Corporation
ETHYL 2-CYANO-2-(4-NITROPHENYL)ACETATE 95.00%
5MG
$ 499.03

Total 6 raw suppliers

Chemical Property of Ethyl 2-cyano-2-(4-nitrophenyl)acetate

Chemical Property:

Melting Point:58-59 °C
Boiling Point:390.7 °C at 760 mmHg
Flash Point:190.1 °C
PSA：95.91000
Density:1.292 g/cm3
LogP:2.28828
Water Solubility.:at 25 deg C (mg/L): 356.2
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:234.06405680
Heavy Atom Count:17
Complexity:333

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-cyano-2-(4-nitrophenyl)acetate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-cyano-2-(4-nitrophenyl)acetate

There total 10 articles about Ethyl 2-cyano-2-(4-nitrophenyl)acetate 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: 100.0%

: 100-00-5
4-chlorobenzonitrile

: sodium salt of ethyl cyanoacetate

: 147795-57-1,91090-86-7
ethyl α-cyano-α-(p-nitrophenyl)acetate

Guidance literature:: In dimethyl sulfoxide; at 90 ℃; for 4h;
DOI:10.1021/jo00053a040

Reference yield: 98.7%

: 350-46-9,178603-76-4
4-Fluoronitrobenzene

: sodium salt of ethyl cyanoacetate

: 147795-57-1,91090-86-7
ethyl α-cyano-α-(p-nitrophenyl)acetate

Guidance literature:: In dimethyl sulfoxide; at 90 ℃; for 0.5h; Product distribution; Mechanism; or reaction of p-Cl-, p-Br-, and p-I-nitrobenzene; or with addition of small amounts of electron acceptors (o-, m-, p-dinitrobenzene) or radical scavengers (as galvinoxyl, 2-methyl-2-nitrosopropane dimer, phenyl tert-butyl nitrone, hydroquinone, etc.);
DOI:10.1021/jo00053a040