(S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether

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Grundinformationen

CAS: 848821-58-9
Standard-SMILES: C[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1
InChIKey: RSUHWMSTWSSNOW-IBGZPJMESA-N
Summenformel: C20H27NOSi
Durchschnittliche Molmasse: 325,5 g/mol
Monoisotopische Masse: 325,18619102

Namen und Bezeichner

Bevorzugter Name: (S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether
IUPAC: [diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilane
Englischer Name: (S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinyl methyltms ether
Summenformel: C20H27NOSi
Molmasse: 325.52

Namen und Synonyme

(S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol trimethylsilyl etherRefChem:407704628-584-8848821-58-9(S)-2-(Diphenyl((trimethylsilyl)oxy)methyl)pyrrolidine(2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethyl-silaneMFCD08690083[diphenyl-[(2S)-pyrrolidin-2-yl]methoxy]-trimethylsilaneC20H27NOSi(S)-(-)-[(Diphenyl)trimethylsiloxymethyl]pyrrolidinePyrrolidine, 2-[diphenyl[(trimethylsilyl)oxy]methyl]-, (2S)-

Weitere Namen anzeigen

S-Diphenylprolinol trimethyl silyl ether(2s)-2-[diphenyl[(trimethylsilyl)oxy]methyl]pyrrolidine(S)-Diphenylprolinol Trimethyl Silyl Ether,99%e.e.(S)-(-)-α,α-Diphenyl-2-pyrrolidoneMethanoe triMethylsilys ether(S)-(–)-α,α-DiphenyL(S)-Hayashi-Jorgensen CatalystJorgenson-Hayashi organocatalyst[(DIPHENYL)TRIMETHYLSILOXYMETHYL]PYRROLIDINE

RSUHWMSTWSSNOW-IBGZPJMESA-N(R)-2-(DIPHENYL(TRIMETHYLSILYLOXY)METHYL)PYRROLIDINESCHEMBL2574515DTXSID50458512CS-B0740AKOS015840590s25143AS-10194

Datenbank-Bezeichner

CAS: 848821-58-9
PubChem CID: 11198150
DTXSID: DTXSID50458512
EC Number: 628-584-8
Nikkaji: J2.212.714D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 21,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 5
Schwere Atome: 23
Formalladung: 0
Komplexität: 348

Physikochemische Eigenschaften

Siedepunkt: 412.7 · 412.7±35.0 °C(Predicted)
Dichte: 1.0459 g/mL · 1.0459 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.5513
Flammpunkt: 110 °C · 110 °C
storage temp.: 2 · 2-8°C
pka: 10.01 · 10.01±0.10(Predicted)
Aggregatzustand: liquid
Farbe: Yellow
InChI: InChI=1S/C20H27NOSi/c1-23(2,3)22-20(19-15-10-16-21-19,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,19,21H,10,15-16H2,1-3H3/t19-/m0/s1
InChIKey: RSUHWMSTWSSNOW-IBGZPJMESA-N
SMILES: N1CCC[C@H]1C(C1=CC=CC=C1)(C1=CC=CC=C1)O[Si](C)(C)C

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 · 4 Einträge

Warning

H315 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: No
ridadr: UN1294 - class 3 - PG 2 - Toluene, solution
hs_code: 29339900
risk_code: 36/37/38-67-65-48/20-38-11-63
hazard_code: Xi,Xn,F
safety_code: 26-62-36/37-16
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenOrganocatalyst for 3-component reactions, and Robinson annulation of α,β-unsaturated aldehydes.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Pyrrolidine, 1-(3-methyl-1-buten-1-yl)-Ethylcyano(pentafluorophenyl)acetate Pyrrolidine, 2-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]-, (2S)-1-Pyrrolidinecarboxylic acid, 2-(hydroxydiphenylmethyl)-,1,1-dimethylethyl ester, (2R)-4-Methoxyphenylmagnesium bromide N-(Trimethylsilyl)imidazol Trimethylsilyltrifluormethansulfonat Chlortrimethylsilan (R)-(+)-a,a-Diphenyl-2-pyrrolidinemethanol Dichlormethan

Zugehörige Reaktionen

133

Reaktionsaufzeichnung erstellen

HRID 523175als Eduktuspto-grants-2016_05

HRID 1518746als Eduktuspto-grants-2015_07

HRID 1812440als KatalysatorDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`

HRID 1812451als KatalysatorDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`

HRID 1812462als KatalysatorDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`

HRID 1812473als KatalysatorDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`

HRID 1812484als KatalysatorDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`

HRID 1812495als KatalysatorDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`

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