Ethyl alpha-cyano-4-nitro-3-(trifluoromethyl)benzeneacetate

Base Information

Chemical Name:Ethyl alpha-cyano-4-nitro-3-(trifluoromethyl)benzeneacetate
CAS No.:176689-25-1
Molecular Formula:C₁₂H₉F₃N₂O₄
Molecular Weight:302.21
Hs Code.:
DSSTox Substance ID:DTXSID501202975

Synonyms:DTXSID501202975;Ethyl alpha-cyano-4-nitro-3-(trifluoromethyl)benzeneacetate;176689-25-1

Suppliers and Price of Ethyl alpha-cyano-4-nitro-3-(trifluoromethyl)benzeneacetate

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

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Chemical Property of Ethyl alpha-cyano-4-nitro-3-(trifluoromethyl)benzeneacetate

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:302.05144126
Heavy Atom Count:21
Complexity:452

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Ethyl alpha-cyano-4-nitro-3-(trifluoromethyl)benzeneacetate

There total 1 articles about Ethyl alpha-cyano-4-nitro-3-(trifluoromethyl)benzeneacetate 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:

: 118-83-2
5-chloro-2-nitrotrifluoromethylbenzene

: 105-56-6
ethyl 2-cyanoacetate

: 176689-25-1
Cyano-(4-nitro-3-trifluoromethyl-phenyl)-acetic acid ethyl ester

Guidance literature:: With potassium hydroxide; In dimethyl sulfoxide; for 48h; Ambient temperature;
DOI:10.1016/0223-5234(96)80446-6

Reference yield:

: 176689-25-1
Cyano-(4-nitro-3-trifluoromethyl-phenyl)-acetic acid ethyl ester

: 854273-16-8
3-trifluoromethyl-4-aminobenzeneacetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: aq. HCl / acetic acid / 0.75 h / Heating

2: H₂ / 10percent Pd/C / ethanol / 2 h / 760 Torr / Ambient temperature

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; acetic acid;
DOI:10.1016/0223-5234(96)80446-6

Reference yield:

: 176689-25-1
Cyano-(4-nitro-3-trifluoromethyl-phenyl)-acetic acid ethyl ester

: 4-(2-Dipropylamino-ethyl)-2-trifluoromethyl-phenylamine

Guidance literature:: Multi-step reaction with 3 steps

1: aq. HCl / acetic acid / 0.75 h / Heating

2: H₂ / 10percent Pd/C / ethanol / 2 h / 760 Torr / Ambient temperature

3: H₂ / 10percent Pd/C / ethanol / 8 h / 50 °C / 760 Torr

With hydrogenchloride; hydrogen; palladium on activated charcoal; In ethanol; acetic acid;
DOI:10.1016/0223-5234(96)80446-6