220566

(S)-(−)-α-Methylbenzylisocyanat

98%

• Synonym(e): (S)-(−)-1-Phenyl-ethylisocyanat
• Lineare Formel: C₆H₅CH(CH₃)NCO
• CAS-Nummer: 14649-03-7
• Molekulargewicht: 147.17
• Beilstein: 4230972
• EG-Nummer: 238-698-6
• MDL-Nummer: MFCD00002036
• UNSPSC-Code: 12352118
• PubChem Substanz-ID: 24853178
• NACRES: NA.22

Eigenschaften

• Qualitätsniveau: 100
• Assay: 98%
• Form: liquid
• Optische Aktivität: [α]20/D −10°, neat
• Optische Reinheit: ee: 96% (GLC)
• Brechungsindex: n20/D 1.5145 (lit.)
• bp: 55-56 °C/2.5 mmHg (lit.)
• Dichte: 1.045 g/mL at 20 °C (lit.)
• Funktionelle Gruppe: amine; isocyanate; phenyl
• Lagertemp.: 2-8°C
• SMILES String: C[C@H](N=C=O)c1ccccc1
• InChI: 1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m0/s1
• InChIKey: JJSCUXAFAJEQGB-QMMMGPOBSA-N

Beschreibung

Allgemeine Beschreibung

(S)-(-)-α-Methylbenzyl isocyanate is a commonly used chiral derivatizing agent for the resolution of enantiomers.

Anwendung

(S)-(-)-α-Methylbenzyl isocyanate may be used as a chiral auxiliary for the resolution of racemic (±)-6aR,11aR-maackiain to give the (-)-form, which is a key intermediate for synthesizing (-)-cabenegrin A-I.

Sicherheitshinweise

• Piktogramme: GHS06,GHS08
• Signalwort: Danger
• H-Sätze: H315,H317,H319,H330,H334,H335,H412
• P-Sätze: P260 - P273 - P280 - P302 + P352 - P304 + P340 + P310 - P305 + P351 + P338
• Gefahreneinstufungen: Acute Tox. 2 Inhalation - Aquatic Chronic 3 - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• Zielorgane: Respiratory system
• Lagerklassenschlüssel: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• Flammpunkt (°F): 149.0 °F - closed cup
• Flammpunkt (°C): 65 °C - closed cup
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter