p-Toluenesulfonyl Isocyanate

p-Toluenesulfonyl Isocyanate Basic information

Product Name:	p-Toluenesulfonyl Isocyanate
Synonyms:	4-Isocyanatosulphonyltoluene,;p-Toluenesulfonyl isocyanate, 96%, AcroSeal;Isocyanicacid, anhydride with p-toluenesulfonic acid (6CI);p-Toluenesulfonyl isocyanate 96%;p-Toluenesulfonyl isocyanate, 96%, SpcSeal;p-Toluenesulfonylisocyanate,95%;Benzenesulfonyl isocyanate, 4-methyl-;Benzenesulfonylisocyanate,4-methyl-
CAS:	4083-64-1
MF:	C8H7NO3S
MW:	197.21
EINECS:	223-810-8
Product Categories:	Building Blocks;Chemical Synthesis;Sulfur Compounds (for Synthesis);Isocyanates;Nitrogen Compounds;Organic Building Blocks;Benzene derivatives;Benzene derivates;Synthetic Organic Chemistry;organic chemical;4083-64-1
Mol File:	4083-64-1.mol

p-Toluenesulfonyl Isocyanate Chemical Properties

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	n20/D 1.534(lit.)
Fp	>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
InChIKey	VLJQDHDVZJXNQL-UHFFFAOYSA-N
LogP	0.6 at 30℃
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

MSDS Information

p-Toluenesulfonyl Isocyanate Usage And Synthesis

Chemical Properties	clear liquid
Uses	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
Uses	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).

p-Toluenesulfonyl Isocyanate Preparation Products And Raw materials

Preparation Products

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