3,3-Difluoro-2-oxo-3-phenylpropanoic acid

Base Information

Chemical Name:3,3-Difluoro-2-oxo-3-phenylpropanoic acid
CAS No.:144156-73-0
Molecular Formula:C₉H₆F₂O₃
Molecular Weight:200.142
Hs Code.:
European Community (EC) Number:833-283-1
Nikkaji Number:J681.113B

Synonyms:3,3-difluoro-2-oxo-3-phenylpropanoic acid;2-Oxo-3,3-difluoro-3-phenylpropionic acid;144156-73-0;AKOS016038720;EN300-1861465

Suppliers and Price of 3,3-Difluoro-2-oxo-3-phenylpropanoic acid

Supply Marketing:

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

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Chemical Property of 3,3-Difluoro-2-oxo-3-phenylpropanoic acid

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:200.02850037
Heavy Atom Count:14
Complexity:244

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 3,3-Difluoro-2-oxo-3-phenylpropanoic acid

There total 9 articles about 3,3-Difluoro-2-oxo-3-phenylpropanoic acid 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: 94.0%

: 144156-72-9
Ethyl 3,3-difluoro-2-oxo-3-phenylpropanoate

: 144156-73-0
3,3-Difluoro-2-oxo-3-phenylpropanoic acid

Guidance literature:: With sodium hydrogencarbonate; In isopropyl alcohol; at 50 ℃; for 24h;
DOI:10.1016/j.tet.2004.06.086

Reference yield:

: 144156-72-9
Ethyl 3,3-difluoro-2-oxo-3-phenylpropanoate

: 144156-73-0
3,3-Difluoro-2-oxo-3-phenylpropanoic acid

: 3,3-Difluoro-2-oxo-3-phenylpropanoic acid hydrate

Guidance literature:: With sodium hydrogencarbonate; In isopropyl alcohol; at 40 - 45 ℃; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1021/jo00121a040

Reference yield:

: 696-31-1
α-fluorostyrene

: 144156-73-0
3,3-Difluoro-2-oxo-3-phenylpropanoic acid

Guidance literature:: Multi-step reaction with 8 steps

1: 91 percent / Et₃N*3HF; N-bromosuccinimide / CH₂Cl₂ / 25 °C

2: 86 percent / 1,4,7,10,13,16-hexaoxacyclooctadecane / dimethylformamide / 15 h / 150 °C

3: 97 percent / aq. NaOH / ethanol / 2 h / 25 °C

4: 99 percent / (COCl)2; DMSO; Et₃N / CH₂Cl₂ / 6 h / 25 °C

5: 71 percent / aq. sodium metabisulfite / 1 h / 25 °C

6: 84 percent / HCl / 4 h / 25 °C

7: 95 percent / 1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3(1H)-one / CH₂Cl₂ / 5 h / 25 °C

8: 94 percent / aq. NaHCO₃ / propan-2-ol / 24 h / 50 °C

With hydrogenchloride; sodium hydroxide; sodium disulfite; N-Bromosuccinimide; oxalyl dichloride; 18-crown-6 ether; sodium hydrogencarbonate; Dess-Martin periodane; dimethyl sulfoxide; triethylamine tris(hydrogen fluoride); triethylamine; In ethanol; dichloromethane; N,N-dimethyl-formamide; isopropyl alcohol; 4: Swern oxidation / 7: Dess-Martin oxidation;
DOI:10.1016/j.tet.2004.06.086