Grundinformationen
- Standard-SMILES
O=C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
NDKDFTQNXLHCGO-UHFFFAOYSA-N- Summenformel
- C17H15NO4
- Durchschnittliche Molmasse
- 297,3 g/mol
- Monoisotopische Masse
- 297,10010796
Überblick
in contrast to a closely related analog NPC 15669, this compound is inactive as an inhibitor of neutrophil recruitment
Namen und Bezeichner
- Bevorzugter Name
- Fmoc-Gly-OH
- IUPAC
- 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
- Englischer Name
- Fmoc-Gly-OH
- Summenformel
- C17H15NO4
- Molmasse
- 297.31
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
29022-11-5- PubChem CID
- 93124
- DTXSID
DTXSID60183262- ChEMBL
CHEMBL5429058- UNII
- T5AMN9BP5V
- EC Number
- 249-373-3
- Nikkaji
- J248.076J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 75,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 403
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 174 · 174-175 °C(lit.)
- Siedepunkt
- 438.82 °C · 438.82°C (rough estimate)
- Dichte
- 1.1671 · 1.1671 (rough estimate)
- Brechungsindex
- 1.45 · 1.4500 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- almost transparency in Methanol
- Aggregatzustand
- Powder
- pka
- 3.89 · 3.89±0.10(Predicted)
- Farbe
- White
- BRN
- 2163967 · 2163967
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)
- InChIKey
- NDKDFTQNXLHCGO-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CNC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
- CAS Datenbank
- 29022 · 29022-11-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (5 of 10) of reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29242995
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenFmoc-Gly-OH is an N-Fmoc-protected form of Glycine (G615990). Glycine is a nonessential amino acid that acts as an inhibitory neyrotransmitter in the vertebrate central nervous system. Glycine also posesses cytoprotective against oxidant damage in the kidney.
Darstellung
synthetischeGlycine (Gly) (0.5 g, 6.66 mmol) was dissolved in 10% NaCO3 (14 ml) under stirring in a 50-ml flask. To the resulting solution, which had been put into an ice bath, 9-fluorenylmethoxycarbonyl chloride (Fmoc-Cl) (1.72 g, 6.66 mmol) in dioxane (12 ml) was gradually added. The reaction mixture was stirred at room temperature for 4 hours. Then added water (150 ml) to the mixture. The aqueous phase layer was separated from the reaction mixture and stripped with ether three times (75 ml×3). The stripped aqueous layer was acidified with 2N HCl aqueous solution to a pH=2, followed by extraction with ethyl acetate three times (75 ml×3). The organic phase layer was recovered and concentrated to obtain crude product of 1.70 g. The crude product was recrystallized in a mixed solvent of ethyl acetate hexane=1:2 (30 ml), and white solid denoted as Fmoc-Gly-OH was obtained after filtration at a reduced pressure.
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