(4S,4'S)-(-)-2,2'-(3-Pentylidene)bis(4-isopropyloxazoline)
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Grundinformationen
- CAS
160191-65-1- Standard-SMILES
CCC(CC)(C1=N[C@@H](C(C)C)CO1)C1=N[C@@H](C(C)C)CO1- InChIKey
PIJFQTUSLZLNOP-ZIAGYGMSSA-N- Summenformel
- C17H30N2O2
- Durchschnittliche Molmasse
- 294,4 g/mol
- Monoisotopische Masse
- 294,2307282
Namen und Bezeichner
- Bevorzugter Name
- (4S,4'S)-(-)-2,2'-(3-Pentylidene)bis(4-isopropyloxazoline)
- IUPAC
- (4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pentan-3-yl]-4,5-dihydro-1,3-oxazole
- Englischer Name
- (4S 4'S)-(-)-2 2'-(3-PENTYLIDENE)BIS(4-&
- Summenformel
- C17H30N2O2
- Molmasse
- 294.43
Namen und Synonyme
160191-65-1(4S,4'S)-(-)-2,2'-(3-Pentylidene)bis(4-isopropyloxazoline)DTXSID20446981RefChem:209264DTXCID60397802621-480-3MFCD03427142(4S,4'S)-(-)-2 2'-(3-PEntylidene)bis(4-isopropyloxazoline)(4S,4'S)-2,2'-(Pentane-3,3-diyl)bis(4-isopropyl-4,5-dihydrooxazole)(4S,4'S)-2 2'-(3-Pentylidene)bis(4-isopropyloxazoline)(4S)-4-propan-2-yl-2-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pentan-3-yl]-4,5-dihydro-1,3-oxazoleOxazole, 2,2'-(1-ethylpropylidene)bis[4,5-dihydro-4-(1-methylethyl)-, (4S,4'S)-
Weitere Namen anzeigen
(4S 4'S)-(-)-2 2'-(3-PENTYLIDENE)BIS(4-&(4S,4μS)-(-)-2,2μ-(1-Ethylpropylidene)bis(4,5-dihydro-4-is...(4S,4'S)-2,2'-(pentane-3,3-diyl)bis(4-isopropyl-4,5-dihydroazole)(4S,4′S)-(?)-2,2′-(3-Pentylidene)bis(4-isopropyloxazoline)(4S,4'S)- 2,2'-(1-ethylpropylidene)bis[4,5-dihydro-4-(1-methylethyl)-Oxazole(4S,4'S)-2,2'-(Pentane-3,3-diyl)bis(4-isopropyl-4,5-dihydrooxazole) - [P89999]
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 43,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 387
Physikochemische Eigenschaften
- Siedepunkt
- 120 °C/0.001 · 120 °C/0.001 mmHg (lit.)
- Dichte
- 1.002 g/mL · 1.002 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.4710(lit.)
- Flammpunkt
- 180 °F · 180 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 5.51 · 5.51±0.70(Predicted)
- InChI
- 1S/C17H30N2O2/c1-7-17(8-2,15-18-13(9-20-15)11(3)4)16-19-14(10-21-16)12(5)6/h11-14H,7-10H2,1-6H3/t13-,14-/m1/s1
- InChIKey
- PIJFQTUSLZLNOP-ZIAGYGMSSA-N
- SMILES
- CCC(CC)(C1=N[C@H](CO1)C(C)C)C2=N[C@H](CO2)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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- hs_code
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden(4S,4′S)-()-2,2′-(3-Pentylidene)bis(4-isopropyloxazoline) is a bisoxazoline that can be used as a ligand:To prepare [11C]carboxylic acids, [11C]esters and [11C]amides using boronic acid esters and 11CO2.In one of the key synthetic steps for the total synthesis of tatanan A and 3-epi-tatanan A.To prepare copper(I) complex and used in a mass spectrometric method to study its chiral selectivity with different substrates.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter31 Anbieter
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
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