Home Cart 0 Sign in  

[ CAS No. 250161-45-6 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 250161-45-6
Chemical Structure| 250161-45-6
Structure of 250161-45-6 * Storage: {[proInfo.prStorage]}

Quality Control of [ 250161-45-6 ]

Related Doc. of [ 250161-45-6 ]

SDS
Alternatived Products of [ 250161-45-6 ]
Alternatived Products of [ 250161-45-6 ]

Product Details of [ 250161-45-6 ]

CAS No. :250161-45-6 MDL No. :MFCD02682033
Formula : C10H7NO3 Boiling Point : 390.3°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :189.17 g/mol Pubchem ID :2776414
Synonyms :

Safety of [ 250161-45-6 ]

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

Application In Synthesis of [ 250161-45-6 ]

  • Downstream synthetic route of [ 250161-45-6 ]

[ 250161-45-6 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 250161-45-6 ]
  • trans-(+/-)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexylamine hydrochloride [ No CAS ]
  • trans-(+/-)-N-{2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl}-4-(1,3-oxazol-5-yl)benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
49% With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20℃; for 1h; Example 163 trans-(+/-)-N-{2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl}-4-(1,3-oxazol-5-yl)benzamide To a solution of trans-(+/-)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexylamine hydrochloride (72 mg, 0.25 mmol) in dry DMF (3 mL) was added <strong>[250161-45-6]4-(1,3-oxazol-5-yl)benzoic acid</strong> (56 mg, 0.3 mmol) followed by HATU (114 mg, 0.3 mmol) and diisopropylethylamine (0.10 mL, 0.5 mmol). The mixture was stirred at room temperature for 1 h, and the reaction was quenched with water (5 mL). The solvent was removed in vacuo. DCM (15 mL) was added and the mixture washed with saturated NaHCO3 (10 mL) and brine (10 mL), dried over Na2SO4. The crude product was purified with reverse phase HPLC to yield trans-(+/-)-N-{2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl}-4-(1,3-oxazol-5-yl)benzamide (52 mg, 49%) as white powders. MS (M+1): 424.3. 1H NMR (400 MHz, METHANOL-D4) delta ppm 0.68-0.90 (m, 4H), 0.98-1.17 (m, 4H), 1.22-1.46 (m, 7H), 1.50-1.62 (m, 2H), 1.64-1.81 (m, 5H), 1.81-2.01 (m, 2H), 2.02-2.27 (m, 2H), 2.34-2.53 (m, 1H), 2.63-3.08 (m, 2H), 3.48-3.69 (m, 1H), 7.64 (s, 1H), 7.79-7.85 (m, 2H), 7.86-7.92 (m, 2H), 8.29 (d, J=1.56 Hz, 1H).
  • 2
  • [ 250161-45-6 ]
  • trans-(+/-)-[2-({3-[(ethoxy)methyl]piperidin-1-yl}methyl)cyclohexyl]amine hydrochloride [ No CAS ]
  • trans-(+/-)-N-(2-[3-(ethoxymethyl)piperidin-1-yl]methyl}cyclohexyl)-4-(1,3-oxazol-5-yl)benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
58% With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20℃; for 1h; Example 169 trans-(+/-)-N-(2-[3-(ethoxymethyl)piperidin-1-yl]methyl}cyclohexyl)-4-(1,3-oxazol-5-yl)benzamide To a solution of trans-(+/-)-2-({3-[(ethoxy)methyl]piperidin-1-yl}methyl)cyclohexyl]amine hydrochloride (73 mg, 0.25 mmol) in dry DMF (3 mL) was added <strong>[250161-45-6]4-(1,3-oxazol-5-yl)benzoic acid</strong> (56 mg, 0.3 mmol) followed by HATU (114 mg, 0.3 mmol) and diisopropylethylamine (0.10 mL, 0.5 mmol). The mixture was stirred at room temperature for 1 h, and the reaction was quenched with water (5 mL). The solvent was removed in vacuo. DCM (15 mL) was added and washed with saturated NaHCO3 (10 mL) and brine (10 mL), dried over Na2SO4. The crude product was purified with high pH HPLC to yield trans-(+/-)-N-(2-[3-(ethoxymethyl)piperidin-1-yl]methyl}cyclohexyl)-4-(1,3-oxazol-5-yl)benzamide (62 mg, 58%) as a white powder. MS (M+1): 426.2. 1H NMR (400 MHz, METHANOL-D4) delta ppm 0.92 (s, 1H), 1.00-1.19 (m, 4H), 1.24-1.44 (m, 4H), 1.51-1.81 (m, 8H), 1.84-1.97 (m, 2H), 2.06-2.20 (m, 2H), 2.36-2.48 (m, 1H), 2.69-2.88 (m, 1H), 2.88-3.04 (m, 1H), 3.07-3.24 (m, 2H), 3.37-3.48 (m, 1H), 3.53-3.64 (m, 1H), 7.64 (s, 1H), 7.80-7.85 (m, 2H), 7.87-7.94 (m, 2H), 8.29 (s, 1H).
  • 3
  • [ 250161-45-6 ]
  • [ 672324-90-2 ]
YieldReaction ConditionsOperation in experiment
48% A mixture of 4- (5-oxazolyl) benzoic acid (1.0 g, 5.46 MMOL) and Et3N (552 mg, 5.46 MMOL) in 25 mL of THF was cooled to 0 C and CICOOI-BU (745 mg, 5.46 MMOL) was added dropwise. After the addition was over, the reaction mixture was stirred for additional 5 min and then aq NH40H (0.63 mL of 28% solution, 10.46 MMOL) was added. After overnight stirring, the solvent was evaporated, the residue was taken up in water and basified to pH 9. The precipitated solid was filtered, washed with water and dried over P205 in a vacuum desiccator to provide 500 mg (48%) of the 4- (5-oxazolyl)-benzamide :'H NMR (DMSO-D6) 8 8.50 (s, 1 H), 8.20-7. 80 (m, 5H).
  • 4
  • [ 250161-45-6 ]
  • aq NH4OH [ No CAS ]
  • [ 672324-90-2 ]
YieldReaction ConditionsOperation in experiment
500 mg (48%) With triethylamine; In tetrahydrofuran; water; Preparative Example 235 A mixture of <strong>[250161-45-6]4-(5-oxazolyl)benzoic acid</strong> (1.0 g, 5.46 mmol) and Et3N (552 mg, 5.46 mmol) in 25 mL of THF was cooled to 0 C. and CICOOi-Bu (745 mg, 5.46 mmol) was added dropwise. After the addition was over, the reaction mixture was stirred for additional 5 min and then aq NH4OH (0.63 mL of 28% solution, 10.46 mmol) was added. After overnight stirring, the solvent was evaporated, the residue was taken up in water and basified to pH 9. The precipitated solid was filtered, washed with water and dried over P2O5 in a vacuum desiccator to provide 500 mg (48%) of the 4-(5-oxazolyl)-benzamide: 1H NMR (DMSO-d6) delta 8.50 (s, 1H), 8.20-7.80 (m, 5H).
  • 5
  • [ 250161-45-6 ]
  • [ 179557-01-8 ]
  • 4-[cyclopropyl-(4-oxazol-5-yl-benzoyl)-amino]-piperidine-1-carboxylic acid tert-butyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Intermediate 1N-Cyclopropyl-4-oxazol-5- l-N-piperidin-4-yl-benzamide2-(1 H-Benzotriazol-1 -yl)-1 , 1 ,3,3-tetramethyluronium tetrafluoroborate (6.10 g) is added to a solution of <strong>[250161-45-6]4-oxazol-5-yl-benzoic acid</strong> (3.00 g) and ethyldiisopropylamine (5.56 ml_) in N,N-dimethylformamide (50 ml_) at room temperature. The solution is stirred for 10 min prior to the addition of 4-cyclopropylamino-piperidine-1 -carboxylic acid tert-butyl ester (4.57 g). The resulting mixture is kept at room temperature over night. The mixture is treated with activated charcoal and filtered through a pad of basic aluminum oxide. The pad is washed with N,N-dimethylformamide/methanol (9: 1 ) and the combined filtrates are concentrated in vacuo. The residue is dissolved in 1 ,4-dioxane (35 ml_), a 4 M solution of hydrogen chloride in 1 ,4-dioxane (20 ml_) is added and the resulting mixture is stirred at room temperature for 2 h. The solvent is evaporated and the residue is taken up in water. The resulting mixture is washed with dichloromethane, basified with NaOH solution and extracted with dichloromethane. The combined extracts are dried over Na2S04 and concentrated in vacuo. The residue is triturated with diethyl ether to afford the title compound. LC (method 1 ): tR = 0.70 min; Mass spectrum (EST): m/z = 312 [M+H]+.
2-(1H-Benzotriazol-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate (6.10 g) is added to a solution of <strong>[250161-45-6]4-oxazol-5-yl-benzoic acid</strong> (3.00 g) and ethyldiisopropylamine (5.56 mL) in N,N-dimethylformamide (50 mL) at room temperature. The solution is stirred for 10 min prior to the addition of 4-cyclopropylamino-piperidine-1-carboxylic acid tert-butyl ester (4.57 g). The resulting mixture is kept at room temperature over night. The mixture is treated with activated charcoal and filtered through a pad of basic aluminum oxide. The pad is washed with N,N-dimethylformamide/methanol (9:1) and the combined filtrates are concentrated in vacuo. The residue is dissolved in 1,4-dioxane (35 mL), a 4 M solution of hydrogen chloride in 1,4-dioxane (20 mL) is added and the resulting mixture is stirred at room temperature for 2 h. The solvent is evaporated and the residue is taken up in water. The resulting mixture is washed with dichloromethane, basified with NaOH solution and extracted with dichloromethane. The combined extracts are dried over Na2SO4 and concentrated in vacuo. The residue is triturated with diethyl ether to afford the title compound. LC (method 1): tR=0.70 min; Mass spectrum (ESI+): m/z=312 [M+H]+.
2-(1H-Benzotriazol-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate (6.10 g) is added to a solution of <strong>[250161-45-6]4-oxazol-5-yl-benzoic acid</strong> (3.00 g) and ethyldiisopropylannine (5.56 ml_) in N,N-dimethylformamide (50 ml_) at room temperature. The solution is stirred for 10 min prior to the addition of 4-cyclopropylamino-piperidine-1 -carboxylic acid tert-butyl ester (4.57 g). The resulting mixture is kept at room temperature over night. The mixture is treated with activated charcoal and filtered through a pad of basic aluminum oxide. The pad is washed with N,N-dimethylformamide/methanol (9:1 ) and the combined filtrates are concentrated in vacuo. The residue is dissolved in 1 ,4-dioxane (35 ml_), a 4 M solution of hydrogen chloride in 1 ,4-dioxane (20 ml_) is added and the resulting mixture is stirred at room temperature for 2 h. The solvent is evaporated and the residue is taken up in water. The resulting mixture is washed with dichloromethane, basified with NaOH solution and extracted with dichloromethane. The combined extracts are dried over Na2SO4 and concentrated in vacuo. The residue is triturated with diethyl ether to afford the title compound.
  • 6
  • [ 250161-45-6 ]
  • [ 1400707-15-4 ]
  • 7
  • [ 250161-45-6 ]
  • [ 1400707-62-1 ]
  • 8
  • [ 250161-45-6 ]
  • [ 1400707-76-7 ]
  • 9
  • [ 250161-45-6 ]
  • [ 1400708-04-4 ]
  • 11
  • [ 250161-45-6 ]
  • [ 1400706-74-2 ]
  • 12
  • [ 250161-45-6 ]
  • [ 1400706-58-2 ]
  • 13
  • [ 250161-45-6 ]
  • [ 1204331-80-5 ]
  • C29H30F3N5O5 [ No CAS ]
  • 14
  • [ 250161-45-6 ]
  • [ 1400707-35-8 ]
  • 15
  • [ 250161-45-6 ]
  • [ 1400707-87-0 ]
Historical Records

Related Functional Groups of
[ 250161-45-6 ]

Carboxylic Acids

Chemical Structure| 169508-94-5

[ 169508-94-5 ]

2-(5-Oxazolyl)benzoic Acid

Similarity: 0.92

Chemical Structure| 23464-97-3

[ 23464-97-3 ]

2-(5-Phenyloxazol-2-yl)benzoic acid

Similarity: 0.77

Chemical Structure| 99924-18-2

[ 99924-18-2 ]

5-Phenyloxazole-4-carboxylic acid

Similarity: 0.71

Chemical Structure| 89205-04-9

[ 89205-04-9 ]

5-(p-Tolyl)oxazole-4-carboxylic acid

Similarity: 0.71

Chemical Structure| 914220-25-0

[ 914220-25-0 ]

5-(m-Tolyl)oxazole-4-carboxylic acid

Similarity: 0.71

Aryls

Chemical Structure| 169508-94-5

[ 169508-94-5 ]

2-(5-Oxazolyl)benzoic Acid

Similarity: 0.92

Chemical Structure| 179057-14-8

[ 179057-14-8 ]

Methyl 4-(5-Oxazolyl)benzoate

Similarity: 0.92

Chemical Structure| 850375-14-3

[ 850375-14-3 ]

Methyl 3-(5-Oxazolyl)benzoate

Similarity: 0.92

Chemical Structure| 1097199-51-3

[ 1097199-51-3 ]

3-(5-Oxazolyl)benzaldehyde

Similarity: 0.90

Chemical Structure| 179057-31-9

[ 179057-31-9 ]

4-(Oxazol-5-yl)benzaldehyde

Similarity: 0.90

Related Parent Nucleus of
[ 250161-45-6 ]

Oxazoles

Chemical Structure| 169508-94-5

[ 169508-94-5 ]

2-(5-Oxazolyl)benzoic Acid

Similarity: 0.92

Chemical Structure| 179057-14-8

[ 179057-14-8 ]

Methyl 4-(5-Oxazolyl)benzoate

Similarity: 0.92

Chemical Structure| 850375-14-3

[ 850375-14-3 ]

Methyl 3-(5-Oxazolyl)benzoate

Similarity: 0.92

Chemical Structure| 1097199-51-3

[ 1097199-51-3 ]

3-(5-Oxazolyl)benzaldehyde

Similarity: 0.90

Chemical Structure| 179057-31-9

[ 179057-31-9 ]

4-(Oxazol-5-yl)benzaldehyde

Similarity: 0.90