Diethyl (2,6-dichloro-5-fluoro-pyridine-3-carbonyl)-malonate

Base Information

Chemical Name:Diethyl (2,6-dichloro-5-fluoro-pyridine-3-carbonyl)-malonate
CAS No.:96568-03-5
Molecular Formula:C₁₃H₁₂Cl₂FNO₅
Molecular Weight:352.146
Hs Code.:
DSSTox Substance ID:DTXSID701149034

Synonyms:SCHEMBL9686323;RIMYSLDPFDGCRX-UHFFFAOYSA-N;diethyl (2,6-dichloro-5-fluoro-pyridine-3-carbonyl)-malonate;DTXSID701149034;96568-03-5;1,3-Diethyl 2-[(2,6-dichloro-5-fluoro-3-pyridinyl)carbonyl]propanedioate

Suppliers and Price of Diethyl (2,6-dichloro-5-fluoro-pyridine-3-carbonyl)-malonate

Supply Marketing:

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

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Chemical Property of Diethyl (2,6-dichloro-5-fluoro-pyridine-3-carbonyl)-malonate

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:351.0076560
Heavy Atom Count:22
Complexity:419

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C(=O)C1=CC(=C(N=C1Cl)Cl)F)C(=O)OCC

Technology Process of Diethyl (2,6-dichloro-5-fluoro-pyridine-3-carbonyl)-malonate

There total 1 articles about Diethyl (2,6-dichloro-5-fluoro-pyridine-3-carbonyl)-malonate 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:

: 82671-06-5
2,6-dichloro-5-fluoro-3-pyridinecarboxylic acid

: 96568-03-5
diethyl (2,6-dichloro-5-fluoro-pyridine-3-carbonyl)-malonate

Guidance literature:: Multi-step reaction with 2 steps

1: 81 percent / SOCl₂ / 1 h / Heating

2: 1.) Mg, CCl₄, EtOH / 1.) Et₂O, reflux, 30 min, 2.) 10 min

With tetrachloromethane; thionyl chloride; ethanol; magnesium;
DOI:10.1248/cpb.38.3211

Reference yield:

: 96568-03-5
diethyl (2,6-dichloro-5-fluoro-pyridine-3-carbonyl)-malonate

: 133414-03-6,133414-04-7
ethyl 2-hydrazono-2-<2-chloro-5-fluoro-6-(p-tolylthio)nicotinoyl>acetate

Guidance literature:: Multi-step reaction with 5 steps

1: p-toluenesulfonic acid / H₂O / 2 h / Heating

2: 88 percent / p-toluenesulfonyl azide, Et₃N / acetonitrile / 1 h / Ambient temperature

3: 35 percent / tri-n-butylphosphine / diisopropyl ether / 18 h / Ambient temperature

4: 11 percent / methanol; H₂O / 4.5 h / Heating

5: 19 percent / tri-n-butylphosphine / bis-(2-methoxy-ethyl) ether / 3 h / 125 - 130 °C

With 4-toluenesulfonyl azide; tributylphosphine; toluene-4-sulfonic acid; triethylamine; In methanol; di-isopropyl ether; diethylene glycol dimethyl ether; water; acetonitrile;
DOI:10.1248/cpb.38.3211

Reference yield:

: 96568-03-5
diethyl (2,6-dichloro-5-fluoro-pyridine-3-carbonyl)-malonate

: 133414-08-1
ethyl 6-fluoro-4(1H)-oxo-7-(p-tolylthio)pyrido<2,3-c>pyridazine-3-carboxylate

Guidance literature:: Multi-step reaction with 5 steps

1: p-toluenesulfonic acid / H₂O / 2 h / Heating

2: 88 percent / p-toluenesulfonyl azide, Et₃N / acetonitrile / 1 h / Ambient temperature

3: 35 percent / tri-n-butylphosphine / diisopropyl ether / 18 h / Ambient temperature

4: 11 percent / methanol; H₂O / 4.5 h / Heating

5: tri-n-butylphosphine / bis-(2-methoxy-ethyl) ether / 3 h / 125 - 130 °C

With 4-toluenesulfonyl azide; tributylphosphine; toluene-4-sulfonic acid; triethylamine; In methanol; di-isopropyl ether; diethylene glycol dimethyl ether; water; acetonitrile;
DOI:10.1248/cpb.38.3211