[ CAS No. 97914-59-5 ] {[proInfo.proName]}

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Quality Control of [ 97914-59-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 97914-59-5 ]

SDS Specification

Alternatived Products of [ 97914-59-5 ]

Product Details of [ 97914-59-5 ]

CAS No. :	97914-59-5	MDL No. :	MFCD00236223
Formula :	C₈H₆F₂O₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	AGDOJFCUKQMLHD-UHFFFAOYSA-N
M.W :	188.13	Pubchem ID :	2063348
Synonyms :

Safety of [ 97914-59-5 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 97914-59-5 ]

* 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 [ 97914-59-5 ]

[ 97914-59-5 ] Synthesis Path-Downstream 1~10

1
[ 67-56-1 ]
[ 97914-59-5 ]
[ 97914-53-9 ]

Yield	Reaction Conditions	Operation in experiment
87%	sulfuric acid;Heating / reflux;	a) 2-Difluoromethoxy-benzoic acid methyl ester2.0 g of 2-difluoromethoxy-benzoic acid (10.6 mmol, 1.0 eq) were dissolved <n="137"/>in MeOH (15 mL) and a catalytic quantity of sulfuric acid was added; the mixture was heated at reflux overnight. The solvent was then evaporated and the residue was dissolved in DCM and washed with saturated NaHCO3. The organic phase was dried and evaporated to give 1.9 g of title product (yield 87%).C9H8F2O31H-NMR (dmso-d6): 3.82 (3H, s); 6.99-7.40 (2H5 m); 7.31 (IH, d, J=8.4 Hz); 7.63-7.67 (IH5 m); 7.82-7.84 (IH5 m).

Reference： [1]Patent: WO2008/87529,2008,A1 .Location in patent: Page/Page column 135-136
[2]European Journal of Medicinal Chemistry,2014,vol. 78,p. 401 - 418

2
[ 444287-40-5 ]
[ 97914-59-5 ]
[ 927671-99-6 ]

Yield	Reaction Conditions	Operation in experiment
65%		5.143 2-DIFLUOROMETHOXY-N-[2-(2,6-DIOXO-PIPERIDIN-3-YL)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-4-YLMETHYL]-BENZAMIDE To a stirred suspension of 4-aminomethyl-2-(2,6-dioxo-piperidin-3-yl)-isoindole-1,3-dione hydrochloride (0.70 g, 2.2 mmol) in CH3CN (60 ml), was added 1,8-diazabicyclo[5.4.0]undec-7-ene (0.82 g, 5.4 mmol). After stirring for 10 minutes, 1-hydroxybenzenetriazole (0.35 g, 2.6 mmol) and 2-difluoromethoxy benzoic acid (0.45 g, 2.4 mmol) were added, followed by 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (0.62 g, 3.2 mmol). After stirring at room temperature overnight, the reaction mixture was concentrated in vacuo, and the residue was dissolved in CH2Cl2 (50 mL). The CH2Cl2 solution was then washed with water (2×30 mL) and brine (30 mL), and dried over MgSO4. Solvent was removed in vacuo, and the resulting oil was purified by ISCO silica gel flash chromatography (eluent: 0% MeOH in CH2Cl2 to 5% MeOH in 10 min then stay at this ratio for 15 min) to afford 4-difluoromethoxy-N-[2-(2,6-dioxo-piperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-ylmethyl]-benzamide as a solid (0.64 g, 65%): mp, 164-166 C.; HPLC: Waters Symmetry C-18, 3.9×150 mm, 5 micro, 1 mL/min, 240 nm, 40/60 (CH3CN/H2O): tR=3.6 (99%); 1H NMR (DMSO-d6): δ 2.04-2.09 (m, 1H), 2.53-2.64 (m, 2H), 2.85-2.93 (m, 1H), 4.92 (d, J=6.0 Hz, 2H), 5.14-5.20 (dd, J=5, 12 Hz, 1H), 6.97-7.86 (m, 8H), 8.97 (t, J=5.8 Hz, 1H), 11.15 (s, 1H). 13C NMR (DMSO-d6) δ: 21.95, 30.91, 38.29, 48.86, 113.18, 116.60, 119.08, 120.02, 121.91, 125.34, 127.12, 128.74, 129.58, 131.48, 131.54, 132.96, 134.64, 138.89, 147.66, 165.60, 166.94, 167.51, 169.80, 172.73. Anal Calcd for C22H17F2N3O6: C, 57.77; H, 3.75; N, 9.19; F, 8.31. Found: C, 57.62; H, 3.60; N, 8.99; F, 8.32.

Reference： [1]Patent: US2007/49618,2007,A1 .Location in patent: Page/Page column 125

3
[ 1000387-18-7 ]
[ 97914-59-5 ]
[ 1000387-24-5 ]

Yield	Reaction Conditions	Operation in experiment
		Intermediate 17: 5-Amino-λ/-(2-r(((2-r(difluoromethv?oxylphenyl\|carbonyl)(2-r(1.1- dimethylethv?oxy1ethyl}amino)methyl1-3,3,3-trifluoro-2-hvdroxypropyl>-1-(4-fluorophenv?- 1/-/-pyrazole-4-carboxamide; solution of O-(7-azabenzotriazol-1 -yl)-N,N, N', N'-tetramethyluronium hexafluorophosphate (HATU) (498.1 mg, 1.31 mmol) in dimethylformamide (2.5ml) was added to 2-difluoromethoxybenzoic acid (246.3mg, 1.31 mmol ). After 10 minutes, a solution of 5-amino-λ/-{2-[({2-[(1 ,1-dimethylethyl)oxy]ethyl}amino)methyl]-3,3,3-trifluoro-2- hydroxypropyl}-1-(4-fluorophenyl)-1/-/-pyrazole-4-carboxamide (550mg, 1.19mmol) and diisopropylethylamine (461.6mg, 3.57mmol) in dimethylformamide (2.5ml) was added and the solution was stirred under nitrogen at room temperature. After 3.5 hours, the reaction mixture was concentrated in vacuo and the residue was purified by the Flashmaster with 0-100% ethyl acetate in cyclohexane gradient over 60 minutes as eluent. This gave the title product (423mg).1H NMR (400 MHz, CHLOROFORM-cQ δ ppm 7.74 (s, 1 H) 7.47 (s, 2H) 7.42 (s, 3H) 7.25 - 7.31 (m, 1 H) 7.13 - 7.24 (m, 2H) 5.52 (br. s., 2H) 3.15 - 4.24 (m, 9H) 1.13 (s, 9H). LC-MS Retention Time 3.37mins, MH+ 631.

Reference： [1]Patent: WO2008/777,2008,A2 .Location in patent: Page/Page column 64

4
[ 97914-59-5 ]
[ 1608129-74-3 ]