-(+)-alpha-Methylbenzyl isocyanate,;, for chiral derivatization, >=99.0%

Code: 77968-1ML D2-231

Application

(R)-(+)-MBIC has been used in derivatization of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol to form 4-(methylnitrosamino)-1-(a-methylbenzylcarbamoyl)-1-(3-pyrid...


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Application

(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.

General description

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

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Other Notes

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

Packaging

1, 5 mL in glass bottle

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assay≥99.0%, ≥99.0% (sum of enantiomers, GC)
bp55-56 °C/2.5 mmHg (lit.)
density1.045 g/mL at 20 °C (lit.), 1.046 g/mL at 20 °C
formliquid
gradefor chiral derivatization
InChI keyJJSCUXAFAJEQGB-MRVPVSSYSA-N
InChI1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m1/s1
optical activity[α]20/D +10.5±0.5°, neat
optical purityenantiomeric ratio: ≥99.5:0.5 (GC)
Quality Level100
qualityLiChropur™
refractive indexn20/D 1.513 (lit.), n20/D 1.513
SMILES stringC[C@@H](N=C=O)c1ccccc1
storage temp.2-8°C
technique(s)HPLC: suitable
Cas Number33375-06-3
Hazard Class6.1
Un Number2206
Pack GroupIII
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