77968

(R)-(+)-α-Methylbenzyl isocyanate

for chiral derivatization, LiChropur^™, ≥99.0%

• Sinônimo(s): (R)-(+)-1-Phenylethyl isocyanate
• Fórmula linear: C₆H₅CH(CH₃)NCO
• Número CAS: 33375-06-3
• Peso molecular: 147.17
• Beilstein: 3196930
• Número CE: 251-485-2
• Número MDL: MFCD00063015
• Código UNSPSC: 12000000
• ID de substância PubChem: 329768059
• NACRES: NA.22

Propriedades

• grau: for chiral derivatization
• Nível de qualidade: 100
• Ensaio: ≥99.0% (sum of enantiomers, GC); ≥99.0%
• Formulário: liquid
• atividade óptica: [α]20/D +10.5±0.5°, neat
• pureza óptica: enantiomeric ratio: ≥99.5:0.5 (GC)
• qualidade: LiChropur^™
• técnica(s): HPLC: suitable
• índice de refração: n20/D 1.513 (lit.); n20/D 1.513
• p.e.: 55-56 °C/2.5 mmHg (lit.)
• densidade: 1.045 g/mL at 20 °C (lit.); 1.046 g/mL at 20 °C
• temperatura de armazenamento: 2-8°C
• cadeia de caracteres SMILES: 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-/m1/s1
• chave InChI: JJSCUXAFAJEQGB-MRVPVSSYSA-N

Descrição

Descrição geral

(R)-(+)-a-Methylbenzyl isocyanate [(R)-(+)-MBIC] is a derivatizing agent.

Aplicação

(R)-(+)-MBIC has been used in derivatization of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol to form 4-(methylnitrosamino)-1-(a-methylbenzylcarbamoyl)-1-(3-pyridyl)butane. It has also been used in isolating hydroxyl acid, converting it to Methyl-4-[(S)-a-methylbenzylcarbamoyl]-4-(3-pyridyl)- butanoate which was further analysed by LC-MS/MS.1 It reacts with hydrate hydrochloride ketoaniline to yield hemiaminal, 3-((1R)-1-Phenylethyl)-(4S)-6-chloro-4-hydroxy-4-(trifluoromethyl)-1,3,4-trihydroquinazolin-2-one.

Outras notas

Reagent used for the determination of the enantiomeric purity of alcohols and amines

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Informações legais

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Informações de segurança

• Pictogramas: GHS06,GHS08
• Palavra indicadora: Danger
• Frases de perigo: H315,H317,H319,H330,H334,H335
• Declarações de precaução: P260 - P264 - P280 - P302 + P352 - P304 + P340 + P310 - P305 + P351 + P338
• Classificações de perigo: Acute Tox. 2 Inhalation - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• Órgãos-alvo: Respiratory system
• Código de classe de armazenamento: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): 149.0 °F - closed cup
• Ponto de fulgor (°C): 65 °C - closed cup
• Equipamento de proteção individual: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter