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  • 220566 - (S)-(−)-α-Methylbenzyl isocyanate

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220566 Sigma-Aldrich

(S)-(−)-α-Methylbenzyl isocyanate

98%

Synonym: (S)-(−)-1-Phenylethyl isocyanate

  • CAS Number 14649-03-7

  • Linear Formula C6H5CH(CH3)NCO

  • Molecular Weight 147.17

  •  Beilstein/REAXYS Number 4230972

  •  EC Number 238-698-6

  •  MDL number MFCD00002036

  •  PubChem Substance ID 24853178

  •  NACRES NA.22

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Properties

Related Categories Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Chiral Resolution Reagents, Chiral Resolving Reagents,
Quality Level   100
assay   98%
optical activity   [α]20/D −10°, neat
optical purity   ee: 96% (GLC)
refractive index   n20/D 1.5145 (lit.)
bp   55-56 °C/2.5 mmHg (lit.)
density   1.045 g/mL at 20 °C (lit.)
storage temp.   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
InChI key   JJSCUXAFAJEQGB-QMMMGPOBSA-N

Description

General description

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

Application

(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.

Packaging

1, 5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Target organs 
Respiratory system
RIDADR 
UN 2206PSN1B 6.1 / PGIII
WGK Germany 
WGK 3

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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