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102971-73-3

102971-73-3 Structure

102971-73-3 Structure
IdentificationBack Directory
[Name]

(R)-FMOC-2-AMINO-3-(3-TERT-BUTOXYCARBONYL-PROPYLSULFANYL)-PROPIONIC ACID
[CAS]

102971-73-3
[Synonyms]

Fmoc-Cys(PrCO-OtBu)-OH
Fmoc-Cys(C3H6COOtBu)-OH
Fmoc-L-Cys(PrCO-OtBu)-OH
Fmoc-Cys(tertbutoxycarnylpropyl)-OH
Fmoc-L-Cys(tert-butoxycarbonylpropyl)-OH
(9H-Fluoren-9-yl)MethOxy]Carbonyl Cys(PrCO-OtBu)-OH
(R)-FMOC-2-AMINO-3-(3-TERT-BUTOXYCARBONYL-PROPYLSULFANYL)-PROPIONIC ACID
(R)-4-[[2-Carboxy-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethyl]thio]butanoic
N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-S-(4-(tert-butoxy)-4-oxobutyl)-L-cysteine
4-[(2R)-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylsulfanyl]butyricacidtertbutylester
(R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-((4-(tert-butoxy)-4-oxobutyl)thio)propanoic acid
(2R)-3-{[4-(tert-butoxy)-4-oxobutyl]sulfanyl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
(R)-4-[[2-Carboxy-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethyl]thio]butanoic acid 1-(1,1-dimethylethyl) ester
Butanoic acid, 4-[[(2R)-2-carboxy-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]ethyl]thio]-, 1-(1,1-dimethylethyl) ester
[Molecular Formula]

C26H31NO6S
[MDL Number]

MFCD11226818
[MOL File]

102971-73-3.mol
[Molecular Weight]

485.59
Chemical PropertiesBack Directory
[Boiling point ]

673.8±55.0 °C(Predicted)
[density ]

1.237±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[form ]

Solid
[pka]

3.47±0.10(Predicted)
[color ]

White to off-white
[InChIKey]

YUHBERDYPBZPQD-QFIPXVFZSA-N
[SMILES]

C(OC(C)(C)C)(=O)CCCSC[C@@H](C(O)=O)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
Safety DataBack Directory
[HS Code ]

29225090
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-S-(4-(tert-butoxy)-4-oxobutyl)-L-cysteine is a cysteine derivative[1].
[Synthesis]

9-Fluorenylmethyl chloroformate

28920-43-6

H-Cys(C3H6COOtBu)-OH

30845-10-4

(R)-FMOC-2-AMINO-3-(3-TERT-BUTOXYCARBONYL-PROPYLSULFANYL)-PROPIONIC ACID

102971-73-3

The general procedure for the synthesis of (R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-((4-(tert-butoxy)-4-oxobutyl)thio)propanoic acid from methyl chloroformate-9-fluorenyl and S-(4-(tert-butoxy)-4-oxobutyl)-L-cysteine was as follows. cysteine (2 g, 7.60 mmol) was dissolved in 10% aqueous Na2CO3 solution, and a THF (7 mL) solution of methyl 9-fluorenyl chloroformate (2.94 g, 11.4 mmol) was slowly added. The reaction mixture was stirred at room temperature overnight. After completion of the reaction, the pH was adjusted to 4~5 with 10% aqueous citric acid solution. THF was removed by distillation under reduced pressure and the residual aqueous solution was extracted with CH2Cl2. The organic phase was washed sequentially with saturated NaCl solution, dried with anhydrous Na2SO4 and concentrated. The crude product was purified by silica gel column chromatography to afford the target compound (550 mg, 15% yield). The structure of the product was confirmed by 1H NMR and 13C NMR: 1H NMR (400 MHz, DMSO-d6) δ 7.85 (d, J = 7.5 Hz, 2H), 7.77-7.61 (m, 3H), 7.37 (t, J = 7.5 Hz, 2H), 7.28 (t, J = 7.4 Hz, 2H), 4.32-4.14 (m, 3H), 4.08 (m, 3H). 3H), 4.08 (qd, J = 8.8, 4.6 Hz, 1H), 2.86 (dt, J = 24.4, 10.2 Hz, 1H), 2.70 (ddd, J = 15.2, 9.6, 5.6 Hz, 1H), 2.55-2.41 (m, 2H), 2.23 (t, J = 7.3 Hz, 2H), 1.68 (dd, J = 8.4, 6.1 Hz, 2H), 1.33 (s, 9H); 13C NMR (100 MHz, DMSO-d6): δ 172.86, 172.31, 156.54, 144.32, 141.26, 141.24, 128.17, 127.59, 125.84, 125.80, 120.64, 80.13, 66.26, 54.58, 47.14, 34.11, 33.05, 33.04, 31.15, 28.24, 25.03.

[References]

[1] Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-807. DOI:10.1080/10408398.2012.708368
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-FMOC-2-AMINO-3-(3-TERT-BUTOXYCARBONYL-PROPYLSULFANYL)-PROPIONIC ACID(102971-73-3)1HNMR
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