(2R)-1-((9H-fluoren-9-ylmethoxy)carbonyl)pyrrolidine-2-carboxylic acid

HCID 688136CAS 101555-62-8

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Grundinformationen

Standard-SMILES: O=C(O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIKey: ZPGDWQNBZYOZTI-GOSISDBHSA-N
Summenformel: C20H19NO4
Durchschnittliche Molmasse: 337,4 g/mol
Monoisotopische Masse: 337,13140809

Namen und Bezeichner

Bevorzugter Name: (2R)-1-((9H-fluoren-9-ylmethoxy)carbonyl)pyrrolidine-2-carboxylic acid
IUPAC: (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
Englischer Name: Fmoc-D-proline
Summenformel: C20H19NO4
Molmasse: 337.37

Namen und Synonyme

N-(9-Fluorenylmethoxycarbonyl)-D-proline(2R)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid(2R)-1-((9H-fluoren-9-ylmethoxy)carbonyl)pyrrolidine-2-carboxylic acidRefChem:396783691-539-6Fmoc-D-Pro-OH101555-62-8Fmoc-D-proline(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acidMFCD00077067D-Proline-N-FmocFMOC-D-PRO

Weitere Namen anzeigen

FMOC-D-FMOC-D-PRO-OH H2On-[(9h-fluoren-9-ylmethoxy)carbonyl]-d-proline(R)-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-(9H-FLUOREN-9-YLMETHYL) ESTERFmoc-D-proLFmoc-D-Pro.H2OCAS:101555-62-8

(2R)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidine-2-carboxylic acid1,2-PYRROLIDINEDICARBOXYLIC ACID, 1-(9H-FLUOREN-9-YLMETHYL) ESTER, (2R)-Fmoc-D-Pro-OH, >=98.0%AKOS015924247AC-24079F10527M03373(((9H-Fluoren-9-yl)methoxy)carbonyl)-D-proline

Datenbank-Bezeichner

CAS: 101555-62-8
PubChem CID: 688136
DTXSID: DTXSID20906313
UNII: YV5Q6KA27X
EC Number: 691-539-6
Nikkaji: J2.650.798G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 66,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 25
Formalladung: 0
Komplexität: 500

Physikochemische Eigenschaften

Schmelzpunkt: 110 · 110-116°C
Siedepunkt: 548.6 · 548.6±43.0 °C(Predicted)
Dichte: 1.328 · 1.328±0.06 g/cm3(Predicted)
Brechungsindex: 32 ° · 32 ° (C=1, DMF)
storage temp.: 2 · 2-8°C
Löslichkeit: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
pka: 3.95 · 3.95±0.20(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Light yellow
BRN: 5856698 · 5856698
Major Application: peptide synthesis
InChI: InChI=1S/C20H19NO4/c22-19(23)18-10-5-11-21(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,23)/t18-/m1/s1
InChIKey: ZPGDWQNBZYOZTI-GOSISDBHSA-N
SMILES: N1(C(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)CCC[C@@H]1C(O)=O
CAS Datenbank: 101555 · 101555-62-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

Sicherheitsdaten

wgk: 3
hs_code: 2933 99 80
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenIn organic synthesis, N-Fmoc-D-proline are often employed as important intermediates in various areas such as peptide synthesis, asymmetric synthesis, medicinal chemistry, and polymer chemistry.