Ethyl 3-chloro-2,4,5-trifluoro-6-nitrobenzoylacetate

Base Information

Chemical Name:Ethyl 3-chloro-2,4,5-trifluoro-6-nitrobenzoylacetate
CAS No.:111230-50-3
Molecular Formula:C₁₁H₇ClF₃NO₅
Molecular Weight:325.628
Hs Code.:
DSSTox Substance ID:DTXSID901180799

Synonyms:ethyl 3-chloro-2,4,5-trifluoro-6-nitrobenzoylacetate;SCHEMBL7004770;MZSMCLGNJHSWEJ-UHFFFAOYSA-N;DTXSID901180799;111230-50-3

Suppliers and Price of Ethyl 3-chloro-2,4,5-trifluoro-6-nitrobenzoylacetate

Supply Marketing:

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

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Chemical Property of Ethyl 3-chloro-2,4,5-trifluoro-6-nitrobenzoylacetate

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:324.9964845
Heavy Atom Count:21
Complexity:433

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)CC(=O)C1=C(C(=C(C(=C1F)Cl)F)F)[N+](=O)[O-]

Technology Process of Ethyl 3-chloro-2,4,5-trifluoro-6-nitrobenzoylacetate

There total 5 articles about Ethyl 3-chloro-2,4,5-trifluoro-6-nitrobenzoylacetate 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:

: 6148-64-7
ethyl potassium malonate

: 111230-48-9
3-chloro-2,4,5-trifluoro-6-nitrobenzoic acid

: 111230-50-3
ethyl 2-(3-chloro-6-nitro-2,4,5-trifluorobenzoyl)acetate

Guidance literature:: ethyl potassium malonate; With triethylamine; magnesium chloride; In acetonitrile; at 20 ℃; for 24h; Cooling with ice;

3-chloro-2,4,5-trifluoro-6-nitrobenzoic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 20 ℃; for 18h;

Reference yield:

: 101513-77-3
3-Chloro-2,4,5-trifluorobenzoic acid

: 111230-50-3
ethyl 2-(3-chloro-6-nitro-2,4,5-trifluorobenzoyl)acetate

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / fuming HNO₃, H₂SO₄ / 5.5 h / 70 °C

2: oxalyl chloride, DMF / CH₂Cl₂ / 16 h

3: 1.) n-BuLi, dipyridyl / 1.) THF, -30 deg C, 2.) THF, from -70 deg C to -30 deg C, 1 h

With n-butyllithium; dipyridyl; oxalyl dichloride; sulfuric acid; nitric acid; N,N-dimethyl-formamide; In dichloromethane;
DOI:10.1021/jm00107a039

Reference yield:

: 111230-48-9
3-chloro-2,4,5-trifluoro-6-nitrobenzoic acid

: 111230-50-3
ethyl 2-(3-chloro-6-nitro-2,4,5-trifluorobenzoyl)acetate

Guidance literature:: Multi-step reaction with 2 steps

1: oxalyl chloride, DMF / CH₂Cl₂ / 16 h

2: 1.) n-BuLi, dipyridyl / 1.) THF, -30 deg C, 2.) THF, from -70 deg C to -30 deg C, 1 h

With n-butyllithium; dipyridyl; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;
DOI:10.1021/jm00107a039