3-Oxo-3-(2,4,5-trifluoro-3,6-dimethyl-phenyl)-propionic acid ethyl ester

Base Information

Chemical Name:3-Oxo-3-(2,4,5-trifluoro-3,6-dimethyl-phenyl)-propionic acid ethyl ester
CAS No.:132630-88-7
Molecular Formula:C₁₃H₁₃F₃O₃
Molecular Weight:274.24
Hs Code.:
DSSTox Substance ID:DTXSID901198613

Synonyms:132630-88-7;3-Oxo-3-(2,4,5-trifluoro-3,6-dimethyl-phenyl)-propionic acid ethyl ester;ethyl 3-oxo-3-(2,4,5-trifluoro-3,6-dimethylphenyl)propanoate;SCHEMBL6578466;DTXSID901198613;MFCD30735812;SB32839;CS-0342796;3-Oxo-3-(2,4,5-trifluoro-3,6-dimethyl-phenyl)-propionicacidethylester

Suppliers and Price of 3-Oxo-3-(2,4,5-trifluoro-3,6-dimethyl-phenyl)-propionic acid ethyl ester

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 3 raw suppliers

Chemical Property of 3-Oxo-3-(2,4,5-trifluoro-3,6-dimethyl-phenyl)-propionic acid ethyl ester

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:274.08167876
Heavy Atom Count:19
Complexity:348

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)CC(=O)C1=C(C(=C(C(=C1F)C)F)F)C

Technology Process of 3-Oxo-3-(2,4,5-trifluoro-3,6-dimethyl-phenyl)-propionic acid ethyl ester

There total 8 articles about 3-Oxo-3-(2,4,5-trifluoro-3,6-dimethyl-phenyl)-propionic acid ethyl ester 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:

: 446-17-3
2,4,5-trifluorobenzoic acid

: 132630-88-7
ethyl 2,4,5-trifluoro-3,6-dimethyl-β-oxobenzenepropanoate

Guidance literature:: Multi-step reaction with 8 steps

1: COCl₂, DMF / CH₂Cl₂ / Ambient temperature

2: CH₂Cl₂ / Ambient temperature

3: SOCl₂ / CHCl₃ / Ambient temperature

4: 1) lithium diisopropylamide / 1) THF, -78 deg C, 2) up to room temp.

5: 1) lithium diisopropylamide / 1) THF, 0 deg C, 2) up to room temp.

6: 73 percent / 6 N HCl / Heating

7: COCl₂, DMF / CH₂Cl₂ / Ambient temperature

8: 1) n-BuLi, bipyridyl / 1) THF, -35 -> -5 deg C, 2) THF, -78 deg C

With hydrogenchloride; [2,2]bipyridinyl; n-butyllithium; thionyl chloride; N,N-dimethyl-formamide; lithium diisopropyl amide; In dichloromethane; chloroform;
DOI:10.1002/jhet.5570270616

Reference yield:

: 88419-56-1
2,4,5-trifluorobenzoyl chloride

: 132630-88-7
ethyl 2,4,5-trifluoro-3,6-dimethyl-β-oxobenzenepropanoate

Guidance literature:: Multi-step reaction with 7 steps

1: CH₂Cl₂ / Ambient temperature

2: SOCl₂ / CHCl₃ / Ambient temperature

3: 1) lithium diisopropylamide / 1) THF, -78 deg C, 2) up to room temp.

4: 1) lithium diisopropylamide / 1) THF, 0 deg C, 2) up to room temp.

5: 73 percent / 6 N HCl / Heating

6: COCl₂, DMF / CH₂Cl₂ / Ambient temperature

7: 1) n-BuLi, bipyridyl / 1) THF, -35 -> -5 deg C, 2) THF, -78 deg C

With hydrogenchloride; [2,2]bipyridinyl; n-butyllithium; thionyl chloride; N,N-dimethyl-formamide; lithium diisopropyl amide; In dichloromethane; chloroform;
DOI:10.1002/jhet.5570270616

Reference yield:

: 132630-87-6
3,6-dimethyl-2,4,5-trifluoro-benzoic acid

: 132630-88-7
ethyl 2,4,5-trifluoro-3,6-dimethyl-β-oxobenzenepropanoate

Guidance literature:: Multi-step reaction with 2 steps

1: COCl₂, DMF / CH₂Cl₂ / Ambient temperature

2: 1) n-BuLi, bipyridyl / 1) THF, -35 -> -5 deg C, 2) THF, -78 deg C

With [2,2]bipyridinyl; n-butyllithium; N,N-dimethyl-formamide; In dichloromethane;
DOI:10.1002/jhet.5570270616