[ CAS No. 1504965-88-1 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 1504965-88-1
Chemical Structure| 1504965-88-1
Structure of 1504965-88-1

Quality Control of [ 1504965-88-1 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 1504965-88-1 ]

SDS

Product Details of [ 1504965-88-1 ]

CAS No. :1504965-88-1MDL No. :MFCD23863661
Formula :C9H10FNO2Boiling Point :-
Linear Structure Formula :-InChI Key :-
M.W :183.18Pubchem ID :-
Synonyms :

Computed Properties of [ 1504965-88-1 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 1504965-88-1 ]

Signal Word:WarningClassN/A
Precautionary Statements:P280UN#:N/A
Hazard Statements:H302-H312-H332Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1504965-88-1 ]

  • Downstream synthetic route of [ 1504965-88-1 ]

[ 1504965-88-1 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 1504965-88-1 ]
  • 5-((2-carboxyethyl)amino)-2-fluoro-4-methylbenzoic acid [ No CAS ]
  • 2
  • [ 1504965-88-1 ]
  • [ 1263277-38-8 ]
YieldReaction ConditionsOperation in experiment
217 mg With lithium hydroxide monohydrate; In tetrahydrofuran; at 20℃; To a stirred solution of [1504965-88-1]methyl 5-amino-2-fluoro-4-methylbenzoate (250 mg, 1 .365 mmol) in THF (5.4 ml) at RT was added a solution of lithium hydroxide monohydrate (128 mg, 3.02 mmol) in water (1 .35 ml). The resulting RM was stirred at RT overnight. The RM was concentrated, rediluted with water (5 ml) and an aq. solution of HCI (2 M) (1 .5 ml) was added until the mixture reached a pH of 4. The mixture was cooled in an ice-water bath, filtered, the solids were washed with water and Et20 and the solids were dried to afford the title compound as a solid (217 mg).Method A: Rt = 0.46 min; [M+H]+= 170.1 .
  • 3
  • [ 1504965-88-1 ]
  • 5-(2,4-dioxotetrahydropyrimidin-1(2H)-yl)-2-fluoro-4-methylbenzoic acid [ No CAS ]
  • 4
  • [ 1504965-88-1 ]
  • N-(5-aminopentyl)-5-(2,4-dioxotetrahydropyrimidin-1(2H)-yl)-2-fluoro-4-methylbenzamide hydrochloride [ No CAS ]
  • 5
  • [ 1504965-88-1 ]
  • tert-butyl (5-(5-(2,4-dioxotetrahydropyrimidin-1(2H)-yl)-2-fluoro-4-methylbenzamido)pentyl)carbamate [ No CAS ]
  • 6
  • [ 1504965-88-1 ]
  • 5-(2,4-dioxotetrahydropyrimidin-1(2H)-yl)-2-fluoro-N-(5-((4-(4-(5-fluoro-3-(2-fluoro-4-(2-hydroxypropan-2-yl)benzamido)-2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzyl)amino)pentyl)-4-methylbenzamide [ No CAS ]
  • 7
  • [ 1504965-88-1 ]
  • N-(5-aminopentyl)-5-(2,4-dioxotetrahydropyrimidin-1(2H)-yl)-2-fluoro-N,4-dimethylbenzamide hydrochloride [ No CAS ]
  • 8
  • [ 1504965-88-1 ]
  • tert-butyl (5-(5-(2,4-dioxotetrahydropyrimidin-1(2H)-yl)-2-fluoro-N,4-dimethylbenzamido)pentyl)carbamate [ No CAS ]
  • 9
  • [ 1504965-88-1 ]
  • 5-(2,4-dioxotetrahydropyrimidin-1(2H)-yl)-2-fluoro-N-(5-((4-(4-(5-fluoro-3-(2-fluoro-4-(2-hydroxypropan-2-yl)benzamido)-2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzyl)amino)pentyl)-N,4-dimethylbenzamide [ No CAS ]
  • 10
  • [ 1504965-88-1 ]
  • 5-amino-2-fluoro-4-methylbenzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% With ammonia; In methanol; at 20℃; for 22h; To a solution of methyl 5-amino-2-fluoro-4-methyl-benzoate (500 mg, 2.73 mmol) in methanol (3 mL) was added ammonia (2 mL of 7 M, 14 mmol), and the mixture was stirred for 16 hours at room temperature. Additional ammonia (2 mL of 7 M, 14 mmol) was added and the reaction was stirred for 6 hours. The reaction mixture was concentrated in vacuo to afford 5-amino-2-fluoro-4-methyl- benzamide (390 mg, 85%) as a yellow solid. ESI-MS m/z calc. 168.07, found 169.0 (M+l)+; retention time (Method F): 0.42 minutes (1.5 minute run).
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