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CAS RN: 36635-61-7 | Product Number: T1046
p-Toluenesulfonylmethyl Isocyanide
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Purity: >98.0%(HPLC)(N)
Synonyms:
- TosMIC
- Tosylmethyl Isocyanide
Documents:
| Size | Unit Price | Belgium | Japan* | Quantity |
|---|---|---|---|---|
| 5G |
€ 26,00
|
2 | ≥40 |
|
| 25G |
€ 91,00
|
5 | ≥40 |
|
*Stock available in Belgium will be delivered in 1 to 3 days
*Stock available in Japan will be delivered in 1 to 2 weeks (excludes regulated items and dry ice shipments).
| Product Number | T1046 |
| Purity / Analysis Method | >98.0%(HPLC)(N) |
| Molecular Formula / Molecular Weight | C__9H__9NO__2S = 195.24 |
| Physical State (20 deg.C) | Solid |
| Store Under Inert Gas | Store under inert gas |
| Condition to Avoid | Moisture Sensitive |
| CAS RN | 36635-61-7 |
| Reaxys Registry Number | 2331606 |
| PubChem Substance ID | 87576847 |
| SDBS (AIST Spectral DB) | 15758 |
| Merck Index (14) | 9556 |
| MDL Number | MFCD00000005 |
Specifications
| Appearance | White to Yellow to Orange powder to crystal |
| Purity(HPLC) | min. 98.0 area% |
| Purity(with Total Nitrogen) | min. 98.0 % |
Properties (reference)
| Melting Point | 110 °C |
GHS
| Pictogram |
|
| Signal Word | Danger |
| Hazard Statements | H301 + H311 + H331 : Toxic if swallowed, in contact with skin or if inhaled. H315 : Causes skin irritation. H319 : Causes serious eye irritation. |
| Precautionary Statements | P261 : Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray. P264 : Wash skin thoroughly after handling. P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection. P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth. P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water. Call a POISON CENTER/doctor if you feel unwell. P403 + P233 : Store in a well-ventilated place. Keep container tightly closed. |
Related Laws:
| EC Number | 253-140-1 |
Transport Information:
| UN Number | UN2811 |
| Class | 6.1 |
| Packing Group | III |
| HS Number | 2930909831 |
Application
Synthesis of Heterocyclic Compounds using TosMIC (Multicomponent Reactions)
Typical Procedure (Entry 3):
To a stirred solution of o-phenylenediamine (1.0 mmol) in toluene (20 mL), 4-chlorobenzaldehyde (1.0 mmol) is added and stirring is continued for 5 min. Then TosMIC (1.0 mmol) and DABCO (1.2 mmol) are added and the reaction mixture is heated to 80 °C for 4 h. The resulting solution is initially washed with 5% HCl, then with H2O and dried. The solvent is distilled off under reduced pressure to yield the corresponding crude product mixture, which is purified by silica gel chromatography (petroleum ether : EtOAc = 10 : 1) as eluent, to give the desired quinoxaline derivative in 84% yield as yellow crystals.
To a stirred solution of o-phenylenediamine (1.0 mmol) in toluene (20 mL), 4-chlorobenzaldehyde (1.0 mmol) is added and stirring is continued for 5 min. Then TosMIC (1.0 mmol) and DABCO (1.2 mmol) are added and the reaction mixture is heated to 80 °C for 4 h. The resulting solution is initially washed with 5% HCl, then with H2O and dried. The solvent is distilled off under reduced pressure to yield the corresponding crude product mixture, which is purified by silica gel chromatography (petroleum ether : EtOAc = 10 : 1) as eluent, to give the desired quinoxaline derivative in 84% yield as yellow crystals.
References
- Heterocyclizations via TosMIC-Based Multicomponent Reactions: A New Approach to One-Pot Facile Synthesis of Substituted Quinoxaline Derivatives.
Application
Carbon Homologation Reaction (Ketones → One-carbon homologated nitriles)
Reference
- A Simple One-Step Synthesis of 2-Cyanoadamantane, a Precursor to Adamantane-2-Carboxylic Acid
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