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[ CAS No. 55579-69-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

2D 3D

Chemical Structure| 55579-69-6

Chemical Structure| 55579-69-6

Structure of 55579-69-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 55579-69-6 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 55579-69-6 ]

SDS Specification

Alternatived Products of [ 55579-69-6 ]

Product Details of [ 55579-69-6 ]

CAS No. :	55579-69-6	MDL No. :	MFCD00104794
Formula :	C₁₃H₁₁F₃O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	256.22	Pubchem ID :	-
Synonyms :

Safety of [ 55579-69-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 55579-69-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 55579-69-6 ]

[ 55579-69-6 ] Synthesis Path-Downstream 1~10

1
[ 40928-13-0 ]
[ 55579-69-6 ]
[ 144155-27-1 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 3429 - 3447

2
[ 321-69-7 ]
[ 55579-69-6 ]
[ 144155-10-2 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 3429 - 3447

3
[ 20829-96-3 ]
[ 55579-69-6 ]
[ 144155-09-9 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 3429 - 3447

4
[ 2923-96-8 ]
[ 55579-69-6 ]
[ 144128-97-2 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 3429 - 3447

5
[ 6361-22-4 ]
[ 55579-69-6 ]
[ 144128-98-3 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 3429 - 3447

6
[ 22233-52-9 ]
[ 55579-69-6 ]
[ 75618-34-7 ]

Reference： [1]Arzneimittel-Forschung/Drug Research,1980,vol. 30,p. 1041 - 1046

7
[ 37795-77-0 ]
[ 55579-69-6 ]
[ 144155-07-7 ]

Reference： [1]Journal of Medicinal Chemistry,1992,vol. 35,p. 3429 - 3447

8
[ 106896-48-4 ]
[ 55579-69-6 ]
3-(3-carbomethoxy-2-bromoanilino)-5-(4-trifluoromethylphenyl)-cyclohex-2-en-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
2.18 g (74%)		c) 3-(3-Carbomethoxy-2-bromoanilino)-5-(4-trifluoromethylphenyl-cyclohex-2-en-1-one A mixture of <strong>[106896-48-4]methyl 2-bromo-3-aminobenzoate</strong> (10.2 g, 44.3 mM) and 5-(4-trifluoromethylphenyl)-1,3-cyclohexanedione (1.77 g, 6.93 mM) was heated at 150 C. under a stream of nitrogen for 20 minutes. The resultant solid was triturated with 4:1 EtOAc/Et2O to afford 2.18 g (74%) of 3-(3-carbomethoxy-2-bromoanilino)-5-(4-trifluoromethylphenyl)-cyclohex-2-en-1-one. 1H NMR (DMSO-d6) delta 8.9 (s, 1H), 7.75-7.5 (m, 7H), 3.9 (s, 3H), 3.5 (m, 1H), 2.9 (dd, J=14 and 9 Hz, 1H), 2.7 (dd, J=14 and 4 Hz, 1H), 2.55 (dd, J=14 and 9 Hz, 1H), 2.35 (dd, J=14 and 4 Hz, 1H). MS (ES) m/e 368, 370.

Reference： [1]Patent: US6177440,2001,B1

9
[ 16744-98-2 ]
[ 55579-69-6 ]
[ 2951842-98-9 ]

Yield	Reaction Conditions	Operation in experiment
14 %	With sodium hydride In N,N-dimethyl acetamide; mineral oil at 20℃;	1 Preparation of N-(2-fluorophenyl)-5-hydroxy-3-oxo-4'-(trifluoromethyl)-1,2,3,6-tetrahydro-[1,1'-biphenyl]-4-carboxamide (Compound number 1-38) 5-(4-(trifluoromethyl)phenyl)cyclohexane-1,3-dione (200 mg, 0.78 mmol), 2-fluorophenyl isocyanate (160 mg, 1.17 mmol),60 wt % sodium hydride (40.6 mg, 1.01 mmol) was added to N,N-dimethylacetamide (5 mL) and stirred at room temperature for 2 hours. After completion of the reaction, the reaction mixture was poured into 1N hydrochloric acid, extracted with ethyl acetate, washed with water, and the resulting organic layer was dried over anhydrous magnesium sulfate and concentrated under reduced pressure.By purifying the obtained residue by silica gel column chromatography, N-(2-fluorophenyl)-5-hydroxy-3-oxo-4'-(trifluoromethyl)-1,2,3,6-tetrahydro-[1,1'-biphenyl]-4-carboxamide(44.0 mg, 0.11 mmol) was obtained. Yield: 14%

Reference： [1]Current Patent Assignee: ADEKA CORP. - WO2023/127807, 2023, A1 Location in patent: Paragraph 0176; 0177

10
[ 55579-69-6 ]
[ 79-22-1 ]
[ 2951844-41-8 ]

Yield	Reaction Conditions	Operation in experiment
89 %	With triethylamine In N,N-dimethyl acetamide at 20℃;	1.1-1 Production of methyl (5-oxo-4'-(trifluoromethyl)-1,2,5,6-tetrahydro-[1,1'-biphenyl]-3-yl) carbonate 5-(4-(trifluoromethyl)phenyl)cyclohexane-1,3-dione (1.08 g, 4.20 mmol), Triethylamine (0.551 g, 5.50 mmol) was added to a solution of methyl chloroformate (0.595 g, 6.30 mmol) and N,N-dimethylacetamide (5 mL), and the mixture was stirred at room temperature for 2 hours. After completion of the reaction, the reaction solution was poured into 1N hydrochloric acid, extracted with ethyl acetate, washed with water, and the resulting organic layer was dried over anhydrous magnesium sulfate and concentrated under reduced pressure.By purifying the obtained residue by silica gel column chromatography, Methyl (5-oxo-4'-(trifluoromethyl)-1,2,5,6-tetrahydro-[1,1'-biphenyl]-3-yl) carbonate(1.17 g, 3.73 mmol) was obtained.Yield: 89%

Reference： [1]Current Patent Assignee: ADEKA CORP. - WO2023/127807, 2023, A1 Location in patent: Paragraph 0184; 0185

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