p-Toluenesulfonyl Isocyanate
Synonym(s):p-Tosyl isocyanate;Tosyl isocyanate;TsNCO
- CAS NO.:4083-64-1
- Empirical Formula: C8H7NO3S
- Molecular Weight: 197.21
- MDL number: MFCD00002030
- EINECS: 223-810-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-12 13:13:47
What is p-Toluenesulfonyl Isocyanate?
Chemical properties
clear liquid
The Uses of p-Toluenesulfonyl Isocyanate
p-Toluenesulfonyl isocyanate is a reagent used to prepare acetylated syn-1,2-diols,1 oxazolidin-2-ones,2 2,3-diamino acids,3 and N-tosylcarbonamides.4
The Uses of p-Toluenesulfonyl Isocyanate
It is a reagent used to prepare acetylated syn-1,2-diols,oxazolidin-2-ones, 2,3-diamino acids, and N-tosylcarbonamides. -Toluenesulfonyl isocyanate has been used as derivatization reagent in determination of 3-α-hydroxy tibolone in human plasma by LC-MS/MS. It is also employed in the derivatization reagent in simultaneous quantitative analysis of diethylene glycol and propylene glycol in pharmaceutical products by HPLC and as reagent in the preparation of acetylated syn-1,2-diols, oxazolidin-2-ones, 2,3-diamino acids and N-tosylcarbonamides.
Synthesis Reference(s)
Tetrahedron Letters, 35, p. 9609, 1994 DOI: 10.1016/0040-4039(94)88523-0
General Description
p-Toluenesulfonyl isocyanate undergoes palladium-catalyzed bis-allylation reaction with allylstannanes and allyl chlorides.
Hazard
Moderately toxic by ingestion. Low toxicity by inhalation. A mild skin and moderate eye irritant.
Synthesis
Add the organic azide (0.75 mmol), Pd(OAc)2
(5.6 mg, 5 mol%) to an oven-dried Schlenk tube (10 mL). Purge the tube
and backfill with CO (three cycles) from a balloon. Inject anhydrous
MeCN (3.0 mL) into the tube. Stir at 80??C for 4 h under CO atmosphere
(balloon). Concentrate the mixture under reduced pressure. Purify the
residue by column chromatography (petroleum ether/EtOAc 3:1.-.1:1).
Properties of p-Toluenesulfonyl Isocyanate
Melting point: | 5°C |
Boiling point: | 144 °C10 mm Hg(lit.) |
Density | 1.291 g/mL at 25 °C(lit.) |
vapor pressure | 1 mm Hg ( 100 °C) |
refractive index | n |
Flash point: | >230 °F |
storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
form | Liquid |
color | Clear colorless to yellow |
Specific Gravity | 1.291.291 |
Odor | acrid odor |
Water Solubility | reacts |
Sensitive | Moisture Sensitive |
BRN | 391287 |
CAS DataBase Reference | 4083-64-1(CAS DataBase Reference) |
NIST Chemistry Reference | 4-Methylbenzenesulfonyl isocyanate(4083-64-1) |
EPA Substance Registry System | Benzenesulfonyl isocyanate, 4-methyl- (4083-64-1) |
Safety information for p-Toluenesulfonyl Isocyanate
Signal word | Danger |
Pictogram(s) |
Exclamation Mark Irritant GHS07 Health Hazard GHS08 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H334:Sensitisation, respiratory H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for p-Toluenesulfonyl Isocyanate
InChIKey | VLJQDHDVZJXNQL-UHFFFAOYSA-N |
Abamectin manufacturer
Paushak Limited
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