(S)-(+)-2-(Methoxymethyl)pyrrolidine
Grundinformationen
- CAS
63126-47-6- Standard-SMILES
COC[C@@H]1CCCN1- InChIKey
CHPRFKYDQRKRRK-LURJTMIESA-N- Summenformel
- C6H13NO
- Durchschnittliche Molmasse
- 115,17 g/mol
- Monoisotopische Masse
- 115,09971404
Überblick
(S)-2-(methoxymethyl)pyrrolidine is a member of the class of pyrrolidines in which the only substituent is a methoxymethyl group at position 2 (the S-enantiomer0. It is an ether and a member of pyrrolidines.
Namen und Bezeichner
- Bevorzugter Name
- (S)-(+)-2-(Methoxymethyl)pyrrolidine
- IUPAC
- (2S)-2-(methoxymethyl)pyrrolidine
- Englischer Name
- (S)-(+)-2-(Methoxymethyl)pyrrolidine
- Summenformel
- C6H13NO
- Molmasse
- 115.17
Namen und Synonyme
(S)-(+)-2-(Methoxymethyl)pyrrolidineDTXSID101291148(+)-(S)-2-(Methoxymethyl)pyrrolidineNSC 305701RefChem:407600DTXCID001721748626-212-963126-47-6(S)-2-(Methoxymethyl)pyrrolidine(2S)-2-(methoxymethyl)pyrrolidineO-Methyl-L-prolinolMFCD00010408
Weitere Namen anzeigen
SMPH-PRO-OL(ME)H-S-PYR-MEOMEL-Prolinol-OMeO-METHYL-D-PROLINOLPROLINOL-METHYL-ETHERL-PROLINOL METHYL ETHERO-Methyl-L-prolinol, SMP
(S)-2-METHOXYMETHYLPYRROLIDINE(S)-(+)-2-(Methoxymethyl)pyrolidinePYRROLIDINE, 2-(METHOXYMETHYL)-, (2S)-SCHEMBL60633AKOS015851527(S)-(+)-2-(methoxymethyl)-pyrrolidineAS-11139EN300-318141
Datenbank-Bezeichner
- CAS
63126-47-6- PubChem CID
- 671217
- DTXSID
DTXSID101291148- ChEBI
CHEBI:131426- EC Number
- 626-212-9
- Nikkaji
- J578.950H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 21,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 65,5
Physikochemische Eigenschaften
- Siedepunkt
- 62 °C40 · 62 °C40 mm Hg(lit.)
- Dichte
- 0.933 g/mL · 0.933 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.446
- Flammpunkt
- 114 °F · 114 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- Löslichkeit
- 2 O, · sol H2O, ether, dichloromethane.
- Aggregatzustand
- Liquid
- pka
- 10.01 · 10.01±0.10(Predicted)
- Farbe
- Clear colorless to yellow
- BRN
- 3587324 · 3587324
- InChI
- InChI=1S/C6H13NO/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
- InChIKey
- CHPRFKYDQRKRRK-LURJTMIESA-N
- SMILES
- N1CCC[C@H]1COC
- CAS Datenbank
- 63126 · 63126-47-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- F
- 3-9-34
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29339900
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden(S)-(+)-2-(Methoxymethyl)pyrrolidine may be used to prepare planar chiral 2-phospha[3]ferrocenophanes. It may also be used as an organocatalyst in the cross-aldol reaction of dihydroxyacetone with p-nitrobenzaldehyde to form the corresponding polyol. SMP reacts with benzoylformic acid to form (S)-N-benzoylformyl-2-(methoxymethyl)-pyrrolidine.
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