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86060-83-5

86060-83-5 Structure

86060-83-5 Structure
IdentificationMore
[Name]

Fmoc-L-Aspartic acid-1-benzyl ester
[CAS]

86060-83-5
[Synonyms]

FMOC-ASPARTIC ACID-OBZL
FMOC-ASP-OBZL
FMOC-L-ASPARTIC ACID ALPHA-BENZYL ESTER
FMOC-L-ASP-OBZL
N-9-FLUORENYLMETHYLOXYCARBONYL-L-ASPARTIC ACID 1-BENZYL ESTER
N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-L-ASPARTIC ACID-ALPHA-BENZYL ESTER
N-ALPHA-(9-FLUORENYLMETHYLOXYCARBONYL)-L-ASPARTIC ACID ALPHA-BENZYL ESTER
N-ALPHA-FMOC-L-ASPARTIC ACID ALPHA-BENZYL ESTER
Fmoc-L-aspartic acid 1-benzyl ester
Fmoc Aspartic α-benzyl ester
[Molecular Formula]

C26H23NO6
[MDL Number]

MFCD00198201
[Molecular Weight]

445.46
[MOL File]

86060-83-5.mol
Chemical PropertiesBack Directory
[Boiling point ]

683.7±55.0 °C(Predicted)
[density ]

1.310±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Soluble in water or 1% acetic acid
[form ]

Powder
[pka]

4.05±0.19(Predicted)
[color ]

White
[Optical Rotation]

-13.9393°(C=0.9032g/100ml MEOH)
[Major Application]

peptide synthesis
[InChIKey]

CBZSVHFNEMONDZ-QHCPKHFHSA-N
[SMILES]

C(OCC1=CC=CC=C1)(=O)[C@H](CC(O)=O)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
[CAS DataBase Reference]

86060-83-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[Safety Statements ]

24/25
[WGK Germany ]

WGK 2
[HS Code ]

29242990
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

peptide synthesis
[reaction suitability]

reaction type: Fmoc solid-phase peptide synthesis
[Synthesis]

L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 4-(1,1-dimethylethyl) 1-(phenylmethyl) ester

117854-05-4

Fmoc-L-Aspartic acid-1-benzyl ester

86060-83-5

Fmoc-Asp(OtBu)-OBn (1.604 g, 3.197 mmol) was used as a raw material and dissolved in 15 mL of freshly distilled dichloromethane (CH2Cl2). To this solution 15 mL of formic acid (HCOOH) was added and the reaction mixture was stirred at room temperature overnight. The reaction progress was monitored by thin layer chromatography (TLC) and after confirming the complete conversion of the feedstock, the volatiles were removed by distillation under reduced pressure. Subsequently, residual formic acid was removed by co-evaporation with dichloromethane to afford the white solid product Fmoc-Asp(OH)-OBn (1.310 g, 2.94 mmol, 92% yield). The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3) and 13C NMR (101 MHz, CDCl3).1H NMR data were as follows: δ 11.15 (s, 1H), 7.80 (d, J=7.5 Hz, 2H), 7.66 (d, J=7.4 Hz, 2H), 7.44 (t, J=7.4 Hz, 2H ), 7.36 (m, 7H), 6.16 (d, J=8.5Hz, 1H), 5.26 (s, 2H), 4.83 (dt, J=8.6,4.4Hz, 1H), 4.50 (dd, J=10.4,7.4Hz, 1H), 4.46-4.38 (m, 1H), 4.26 (t, J=7.1Hz, 1H), 4.26 (t, J=7.1Hz, 1H), and 3.18 (dd, J=17.4,4.6 Hz, 1H), 3.01 (dd, J=17.4,4.2 Hz, 1H).13C NMR data were as follows: δ 175.36, 170.34, 156.04, 143.53, 143.39, 141.02, 134.84, 128.34, 128.20, 127.94, 127.51, 126.87, 124.90, 119.76, 67.44, 67.21, 50.18, 46.79, 36.12.

[References]

[1] Journal of the American Chemical Society, 2003, vol. 125, # 40, p. 12100 - 12101
[2] Patent: WO2018/106112, 2018, A1. Location in patent: Page/Page column 50; 51
[3] Carbohydrate Research, 1988, vol. 174, p. 279 - 290
[4] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 24, p. 7306 - 7308
[5] European Journal of Medicinal Chemistry, 2014, vol. 73, p. 225 - 232
Spectrum DetailBack Directory
[Spectrum Detail]

Fmoc-L-Aspartic acid-1-benzyl ester(86060-83-5)1HNMR
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