(2R)-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid

HCID 688022CAS 37784-17-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)O
InChIKey: ZQEBQGAAWMOMAI-SSDOTTSWSA-N
Summenformel: C10H17NO4
Durchschnittliche Molmasse: 215,25 g/mol
Monoisotopische Masse: 215,11575802

Namen und Bezeichner

Bevorzugter Name: (2R)-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid
IUPAC: (2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Englischer Name: N-Boc-D-proline
Summenformel: C10H17NO4
Molmasse: 215.25

Namen und Synonyme

(2R)-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acid(2R)-1-((tert-butoxy)carbonyl)pyrrolidine-2-carboxylic acidRefChem:396793805-206-1N-Boc-D-proline37784-17-1Boc-D-Pro-OHBoc-D-proline(R)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acidN-(tert-Butoxycarbonyl)-D-prolineMFCD00063226tert-butoxycarbonyl-D-proline

Weitere Namen anzeigen

BOC-D-PRON-Boc-D-proLBOC-D-PROLINE-OHBOC-D-PYRD(2)-OHN-T-BOC-D-PROLINEBOC-D-Proline,98%

(TERT-BUTOXYCARBONYL)-D-PROLINEM03316(2R)-1,2-Pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester;BocDProOH1-(tert-butoxycarbonyl)-D-prolineBoc-DPro-OHN-Boc, D-proline(r)-n-boc-proline

Datenbank-Bezeichner

CAS: 37784-17-1
PubChem CID: 688022
DTXSID: DTXSID901369254
EC Number: 805-206-1
Nikkaji: J1.260.635D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 66,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 269

Physikochemische Eigenschaften

Schmelzpunkt: 134 · 134-137 °C (lit.)
Siedepunkt: 355.52 °C · 355.52°C (rough estimate)
Dichte: 1.1835 · 1.1835 (rough estimate)
Brechungsindex: 60 ° · 60 ° (C=2, AcOH)
storage temp.: 2 · 2-8°C
Löslichkeit: almost transparency in Acetic acid
Aggregatzustand: Crystalline Powder or Crystals
pka: 4.01 · 4.01±0.20(Predicted)
Farbe: White to off-white
BRN: 479316 · 479316
Major Application: peptide synthesis
InChI: InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKey: ZQEBQGAAWMOMAI-SSDOTTSWSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC[C@@H]1C(O)=O
CAS Datenbank: 37784 · 37784-17-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.