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Chemical Structure| 205445-52-9 Chemical Structure| 205445-52-9
Chemical Structure| 205445-52-9

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Product Details of Boc-Phe(3,5-DiF)-OH

CAS No. :205445-52-9
Formula : C14H17F2NO4
M.W : 301.29
SMILES Code : O=C(O)[C@@H](NC(OC(C)(C)C)=O)CC1=CC(F)=CC(F)=C1
MDL No. :MFCD00797555
InChI Key :CZBNUDVCRKSYDG-NSHDSACASA-N
Pubchem ID :2779009

Safety of Boc-Phe(3,5-DiF)-OH

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of Boc-Phe(3,5-DiF)-OH

* 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 [ 205445-52-9 ]

[ 205445-52-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 126674-77-9 ]
  • N-(7-amino-4-chloro-1-methyl-1H-indazol-3-yl)-N-(4-methoxybenzyl)methanesulfonamide [ No CAS ]
  • [ 205445-52-9 ]
  • tert-butyl (S)-(1-(3-(4-chloro-3-(N-(4-methoxybenzyl)methylsulfonamido)-1-methyl-1H-indazol-7-yl)-5,7-difluoro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl)carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
310 mg Within a septum top vial equipped with a magnetic stirrer bar was added (S)-2- i-butoxycarbonyl)amino)-3-(3,5-difluorophenyl)propanoic acid (200 mg, 0.664 mmol), <strong>[126674-77-9]2-amino-4,6-difluorobenzoic acid</strong> (115 mg, 0.664 mmol), and diphenyl phosphite (0.449 mL, 2.323 mmol) in pyridine (1.5 mL). The vial was capped and the mixture was heated in an aluminum block for 1.5 hours at 70C. N-(7-amino-4-chloro-l-methyl-lH- indazol-3-yl)-N-(4-methoxybenzyl)methanesulfonamide (288 mg, 0.730 mmol) (Intl7d) was then added to the mixture and the cap placed on the vial, and the reaction was again heated to 70C for an additional 2 hours. LC/MS after cooling showed the desired product as a major peak. Dried down the reaction slowly under a stream of nitrogen. The residue was dissolved in DCM and was transferred to the top of a 40 g silica gel chromatography column. The desired product was eluted with 0-100% ethyl acetate/hexanes over 1.2 L of total solvent. Like fractions (TLC: Rf = 0.69; 50% ethyl acetate/hexanes) were concentrated down to give 310 mg of yellow foam. This material will used as is for next step. LC/MS m/z = 759.2 (M-55)+. Column: Waters Aquity UPLC BEH C18, 2.1 mm x 50 mm, 1.7 muiotaeta particles; Mobile Phase A: 100% water with 0.05% TFA; Mobile Phase B: 100% acetonitnle : water with 0.05% TFA; Temperature: 40 C; Gradient: 2 %B to 98 %B over 1.5 min, then a 1.5 min hold at 100 %B; Flow: 0.8 mL/min; Detection: UV (254 nm); Retention Time: 1.88 min.
 

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