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Chemical Structure| 117106-22-6 Chemical Structure| 117106-22-6

Structure of 117106-22-6

Chemical Structure| 117106-22-6

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Product Details of [ 117106-22-6 ]

CAS No. :117106-22-6
Formula : C19H20N2O4
M.W : 340.37
SMILES Code : O=C(O)[C@@H](N)CCNC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O
MDL No. :MFCD08275862
InChI Key :SWKHFSHBIZGRLP-KRWDZBQOSA-N
Pubchem ID :15601076

Safety of [ 117106-22-6 ]

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

Application In Synthesis of [ 117106-22-6 ]

* 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 [ 117106-22-6 ]

[ 117106-22-6 ] Synthesis Path-Downstream   1~8

  • 1
  • [ 1492-24-6 ]
  • [ 117106-22-6 ]
  • C58H107N9O13 [ No CAS ]
  • C81H132N12O17 [ No CAS ]
  • 2
  • [ 34619-03-9 ]
  • [ 117106-22-6 ]
  • [ 117106-21-5 ]
  • 3
  • [ 82911-69-1 ]
  • [ 1482-98-0 ]
  • [ 117106-22-6 ]
  • 4
  • [ 13734-34-4 ]
  • [ 13836-37-8 ]
  • [ 117106-22-6 ]
  • N-Boc-O-Boc-2',6'-dimethyl-L-tyrosine [ No CAS ]
  • 2',6'-Dmt-D-Arg-Phe-Dab-NH<SUB>2</SUB> [ No CAS ]
  • 5
  • [ 20924-05-4 ]
  • [ 117106-22-6 ]
  • [ 925415-95-8 ]
  • 7
  • [ 117106-22-6 ]
  • [ 186046-80-0 ]
  • [ 1072896-05-9 ]
  • 8
  • 1-tert-butyl 18-(perfluorophenyl) octadecanedioate [ No CAS ]
  • [ 117106-22-6 ]
  • (S)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-(18-(tertbutoxy)-18-oxooctadecanamido)butanoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
16.46% With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20.0℃;Inert atmosphere; Sealed tube; To a 50 ml round bottom flask was added(S)-4-((((9H-fluoren-9- yl)methoxy)carbonyl)amino)-2-aminobutanoic acid (200 mg, 0.588 mmol) , N,Ndimethylformamide (5 mL), 1 -tert-butyl 1 8-(perfluorophenyl) octadecanedioate (347 mg, 0.646 mmol), and Hunig?sBase (0.308 mL, 1.763 mmol). The flask was sealedwith a septum and kept under a blanket of nitrogen and stirred overnight at rt. The next day the reaction was poured into a saturated citric acid soution and extracted with CH2C12 3x. The organic layers were combined and washed with brine, dried over Na2SO4 and evaporated in vacuo. The crude product was purified on silica gel chromatography eluting with 100% CH2C12 then 5% MeOH in 95% CH2C12. Thepure fractions were combined and evaporated in vacuo affording (S)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-( 1 8-(tert-butoxy)- 18-oxooctadecanamido)butanoic acid (67 mg, 0.097 mmol, 16.46 % yield). Column: XBridge C18, 2.0 x 50 mm, 3.5-tim particles; Mobile Phase A: 5:95 acetonitrile:waterwith 10 mM ammonium acetate; Mobile Phase B: 95:5 acetonitrile:water with 10mM ammonium acetate; Temperature: 40 C; Gradient: 0%B, 0-100% B over 5 minutes, then a 1.0-minute hold at 100% B; Flow: 0.8 mL/min; Detection: UV at 220 nm. Retention time = 3.866 mm; ESI-MS(-)mlz 691.6 (M-H).
 

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