2-Methyl-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid

Base Information

Chemical Name:2-Methyl-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
CAS No.:75380-98-2
Molecular Formula:C₁₂H₁₁F₃O₃
Molecular Weight:260.213
Hs Code.:2918300090
DSSTox Substance ID:DTXSID80590515
Mol file:75380-98-2.mol

Synonyms:75380-98-2;2-METHYL-4-OXO-4-[4-(TRIFLUOROMETHYL)PHENYL]BUTANOIC ACID;2-Methyl-4-oxo-4-(4'-trifluoromethylphenyl)butyric acid;Benzenebutanoic acid, a-methyl-g-oxo-4-(trifluoromethyl)-;2-Methyl-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoicacid;2-Methyl-4-oxo-4-(4-(trifluoromethyl)phenyl)butanoic acid;SCHEMBL11167372;DTXSID80590515;XTARXFGEVMNZNT-UHFFFAOYSA-N;AKOS010910183;DB-021353;A838395;2-methyl-4-oxidanylidene-4-[4-(trifluoromethyl)phenyl]butanoic acid

Suppliers and Price of 2-Methyl-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid

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

SynQuest Laboratories
2-Methyl-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
5 g
$ 573.00

SynQuest Laboratories
2-Methyl-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
1 g
$ 298.00

Apolloscientific
2-Methyl-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoicacid
5g
$ 358.00

American Custom Chemicals Corporation
2-METHYL-4-OXO-4-[4-(TRIFLUOROMETHYL)PHENYL]BUTANOIC ACID 95.00%
5G
$ 1271.75

American Custom Chemicals Corporation
2-METHYL-4-OXO-4-[4-(TRIFLUOROMETHYL)PHENYL]BUTANOIC ACID 95.00%
1G
$ 848.19

AHH
2-Methyl-4-oxo-4-(4'-trifluoromethylphenyl)butyricacid 97%
5g
$ 375.00

Total 11 raw suppliers

Chemical Property of 2-Methyl-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid

Chemical Property:

Vapor Pressure:1.99E-06mmHg at 25°C
Boiling Point:379.2°C at 760 mmHg
Flash Point:183.2°C
PSA：54.37000
Density:1.307g/cm³
LogP:2.99890
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:260.06602869
Heavy Atom Count:18
Complexity:317

Purity/Quality:

97% ^*data from raw suppliers

2-Methyl-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Methyl-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid

There total 5 articles about 2-Methyl-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic 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: 98.0%

: C₁₂H₉F₃O₃

: 75380-98-2
C₁₂H₁₁F₃O₃

Guidance literature:: With di(norbornadiene)rhodium(I) tetrafluoroborate; hydrogen; SL-J₄₀₄-1; In isopropyl alcohol; at 20 ℃; for 9h; under 11400.8 Torr; enantioselective reaction; Glovebox; Autoclave;
DOI:10.1021/acs.orglett.0c01618

Reference yield:

: 2967-66-0
methyl 4-(trifluoromethyl)benzoate

: 75380-98-2
C₁₂H₁₁F₃O₃

Guidance literature:: Multi-step reaction with 4 steps

1.1: lithium diisopropyl amide / hexane; tetrahydrofuran / -20 - 20 °C / Inert atmosphere

2.1: n-butyllithium / hexane; tetrahydrofuran / 0.5 h / -20 °C / Inert atmosphere

2.2: 1 h / 20 °C / Inert atmosphere

3.1: lithium hydroxide / tetrahydrofuran; water / 1 h / Reflux

4.1: di(norbornadiene)rhodium(I) tetrafluoroborate; SL-J₄₀₄-1; hydrogen / isopropyl alcohol / 9 h / 20 °C / 11400.8 Torr / Glovebox; Autoclave

With n-butyllithium; di(norbornadiene)rhodium(I) tetrafluoroborate; hydrogen; SL-J₄₀₄-1; lithium hydroxide; lithium diisopropyl amide; In tetrahydrofuran; hexane; water; isopropyl alcohol;
DOI:10.1021/acs.orglett.0c01618