(S)-(−)-α-Methylbenzyl isocyanate
(S)-(−)-α-Methylbenzyl isocyanate (CAS: 14649-03-7), with the chemical formula C6H5CH(CH3)NCO and a molecular weight of 147.17 g/mol, is a chiral isocyanate. It serves as a valuable intermediate and building block in asymmetric synthesis. Its reactive isocyanate group allows for facile derivatization, making it useful in the development of chiral molecules for various chemical applications.
- IUPAC
- (S)-(−)-1-Phenylethyl isocyanate
Chiral Building Block
(S)-(−)-α-Methylbenzyl isocyanate is utilised as a key chiral building block in organic synthesis. It enables the introduction of a stereochemically defined fragment into target molecules, which is crucial for pharmaceutical and agrochemical development.
Asymmetric Synthesis
This isocyanate is employed in asymmetric synthesis strategies to create enantiomerically enriched compounds. Its defined stereochemistry allows chemists to control the chirality of products derived from reactions involving this reagent.
Derivatization Agent
The reactive -NCO group readily reacts with nucleophiles such as alcohols and amines. This makes it a useful agent for derivatizing chiral alcohols and amines, aiding in their characterisation or resolution.
| Molecular weight | 147.17 |
|---|---|
| Linear formula | C6H5CH(CH3)NCO |
| Assay | ≥99.0% (GC)≥99.0% |
| Boiling point | 55-56 °C/2.5 mmHg(lit.) |
| Density | 1.045 g/mL at 20 °C(lit.) |
| Refractive index | n20/D 1.5145(lit.) |
| Optical purity | enantiomeric excess: ≥98.5% |
Hazard statements
- H315Causes skin irritation
- H319Causes serious eye irritation
- H330Fatal if inhaled
- H334May cause allergy or asthma symptoms if inhaled
- H335May cause respiratory irritation
Precautionary statements
- P260Do not breathe dust, fume, gas, mist, vapours or spray
- P284Wear respiratory protection
- P305IF IN EYES
- P310Immediately call a POISON CENTER or doctor
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 65 °C / 149 °F |
| Transport (UN / ADR) | UN 2206 6.1/PG 3 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 36/37/38-42 |
| Safety statements (S) | 23-26-36 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is (S)-(−)-α-Methylbenzyl isocyanate used for?
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(S)-(−)-α-Methylbenzyl isocyanate is primarily used as a chiral building block and reagent in asymmetric synthesis. It is valuable for introducing stereochemical control in the synthesis of complex organic molecules, particularly in pharmaceutical and fine chemical research.
What are the CAS number and chemical formula for (S)-(−)-α-Methylbenzyl isocyanate?
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The CAS number for (S)-(−)-α-Methylbenzyl isocyanate is 14649-03-7, and its chemical formula is C6H5CH(CH3)NCO.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies (S)-(−)-α-Methylbenzyl isocyanate with an assay of ≥99.0% (GC) and an optical purity (enantiomeric excess) of ≥98.5%. We do not represent this product as USP, BP, or EP grade.
What are the main safety hazards associated with this product?
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This compound is a Danger hazard, classified with GHS06 and GHS08 symbols. It causes skin irritation (H315), serious eye irritation (H319), is fatal if inhaled (H330), may cause allergy or asthma symptoms or breathing difficulties if inhaled (H334), and may cause respiratory irritation (H335).
Is (S)-(−)-α-Methylbenzyl isocyanate a controlled substance?
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The provided data does not indicate that (S)-(−)-α-Methylbenzyl isocyanate is a controlled substance.
How is (S)-(−)-α-Methylbenzyl isocyanate packed and shipped?
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(S)-(−)-α-Methylbenzyl isocyanate is classified as UN 2206, Class 6.1, Packing Group III. It is exported globally by Tech Serve Solutions, adhering to all relevant shipping regulations.
How can I request a sample or quote for (S)-(−)-α-Methylbenzyl isocyanate?
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Please contact our sales team through the website to request a sample or obtain a quotation for (S)-(−)-α-Methylbenzyl isocyanate.
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