Tosyl isocyanate supplier | CasNO.4083-64-1

Name
Tosyl isocyanate
EINECS 223-810-8
CAS No. 4083-64-1
Article Data28
CAS DataBase
Density 1.27 g/cm³
Solubility reacts with water
Melting Point 5°C
Formula C₈H₇NO₃S
Boiling Point 288.8 °C at 760 mmHg
Molecular Weight 197.214
Flash Point 128.5 °C
Transport Information UN 2206 6.1/PG 3
Appearance clear liquid
Safety 26-28-30-28A
Risk Codes 14-36/37/38-42
Molecular Structure
Hazard Symbols Xn
Synonyms p-Toluenesulfonic acid,anhydride with isocyanic acid (7CI,8CI);4-Methylbenzenesulfonyl isocyanate;4-Methylphenylsulfonyl isocyanate;4-Toluenesulfonyl isocyanate;Additive TI;PTSI;p-Toluene sulphonyl isocyanate;p-Methylbenzenesulfonyl isocyanate;p-Methylphenylsulfonyl isocyanate;p-Toluenesulfonyl isocyanate;p-Tosyl isocyanate;
PSA 71.95000
LogP 2.10030

Synthetic route

: p-toluenesulfonylcarbamyl fluoride

: 4083-64-1
Tosyl isocyanate

Conditions

Conditions	Yield
In toluene at 140℃; for 2h; Glovebox;	84%

: 941-55-9
4-toluenesulfonyl azide

: 201230-82-2
carbon monoxide

A: 4083-64-1
Tosyl isocyanate

B: 70-55-3
toluene-4-sulfonamide

Conditions

Conditions	Yield
With palladium diacetate In acetonitrile at 40℃; for 4h; Schlenk technique;	A 25% B 75%
Stage #1: 4-toluenesulfonyl azide; carbon monoxide With palladium diacetate In acetonitrile at 80℃; for 4h; Stage #2: With water	A 23 %Chromat. B 77 %Chromat.

...Expand

: 201230-82-2
carbon monoxide

: 55962-05-5
[N-(p-tolylsulfonyl)imino]phenyliodinane

: 4083-64-1
Tosyl isocyanate

Conditions

Conditions	Yield
bis(benzonitrile)palladium(II) dichloride In dichloromethane; acetonitrile under 28502.3 Torr; for 0.666667h; Ambient temperature;	60%

: 75-44-5
phosgene

: 70-55-3
toluene-4-sulfonamide

: 4083-64-1
Tosyl isocyanate

Conditions

Conditions	Yield
With 1,2,3-trichlorobenzene
In 5,5-dimethyl-1,3-cyclohexadiene at 100℃; for 2h; Time; Temperature; Solvent; Inert atmosphere;

: 101386-15-6
p-toluenesulphonyloxamoyl chloride

: 4083-64-1
Tosyl isocyanate

Conditions

Conditions	Yield
With 1,2-dichloro-benzene Heating;

: 1189-71-5
isocyanate de chlorosulfonyle

: 937-12-2
4-tolyltrimethylstannane

: 4083-64-1
Tosyl isocyanate

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 15h;
In dichloromethane at 20℃; for 10h;

: 1189-71-5
isocyanate de chlorosulfonyle

: 70841-00-8
dibutyl di(p-methylphenyl)tin

: 4083-64-1
Tosyl isocyanate

Conditions

Conditions	Yield
at 40℃; for 10h;

: 201230-82-2
carbon monoxide

: 127-65-1
chloroamine-T

: 4083-64-1
Tosyl isocyanate

Conditions

Conditions	Yield
bis(benzonitrile)palladium(II) dichloride In dichloromethane; acetonitrile at 20℃; under 30002.4 Torr; Yield given;

: 201230-82-2
carbon monoxide

: 125069-32-1
C7H7ClNO2S(1-)*K(1+)

: 4083-64-1
Tosyl isocyanate

Conditions

Conditions	Yield
tris-(dibenzylideneacetone)dipalladium(0) In dichloromethane at 55℃; under 30002.4 Torr; Yield given;

: 201230-82-2
carbon monoxide

: 52867-19-3
diphenyl-N-(p-toluenesulfonyl)selenimide

: 4083-64-1
Tosyl isocyanate

Conditions

Conditions	Yield
With bis(benzonitrile)palladium(II) dichloride; benzonitrile In dichloromethane under 26252.1 Torr; r.t., 30 min then 50 deg C, 2.5 h;

: 5577-13-9
Tosylurethane

: 4083-64-1
Tosyl isocyanate

Conditions

Conditions	Yield
With boron trichloride; triethylamine In benzene for 0.5h; Heating;	100 % Chromat.

: 14437-03-7
methyl tosylcarbamate

: 4083-64-1
Tosyl isocyanate

Conditions

Conditions	Yield
With boron trichloride; triethylamine In benzene for 0.5h; Heating;	92 % Chromat.

: 70-55-3
toluene-4-sulfonamide

sodium p-toluenesulfonic acid chloroamide: sodium p-toluenesulfonic acid chloroamide

: 4083-64-1
Tosyl isocyanate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: 1,2-dichloro-benzene / Heating View Scheme

: 70-55-3
toluene-4-sulfonamide

: 4083-64-1
Tosyl isocyanate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: perfluorobutanesulfonic acid / toluene / 3 h / 60 °C / Glovebox 2: toluene / 2 h / 140 °C / Glovebox View Scheme

: 98-59-9
p-toluenesulfonyl chloride

: 4083-64-1
Tosyl isocyanate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium azide / acetone; water / 12 h / 0 - 20 °C 2: palladium diacetate / acetonitrile / 4 h / 40 °C / Schlenk technique View Scheme

: 106-88-7
ethyloxirane

: 4083-64-1
Tosyl isocyanate

: 129200-02-8
3-(p-tolylsulfonyl)-5-ethyl-1,3-oxazolidin-2-one

Conditions

Conditions	Yield
With tetraphenyl stibonium iodide In dichloromethane at 40℃;	100%

: 26196-04-3, 137688-22-3, 137688-23-4
1-methoxy-2-methylpropylene oxide

: 4083-64-1
Tosyl isocyanate

: 119350-40-2
3-(4-toluenesulfonyl)-4,4-dimethyl-5-methoxy-2-oxazolidone

Conditions

Conditions	Yield
With Tributylphosphine oxide; lithium bromide In benzene for 6h; Heating; further temperatures and solvent;	100%

: 6705-51-7
3,4-epoxycyclohexene

: 4083-64-1
Tosyl isocyanate

: 108473-25-2
(3aRS,7aSR)-3-tosyl-3a,6,7,7a-tetrahydro-1,3-benzooxazol-2(3H)-one

Conditions

Conditions	Yield
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; triisopropylamine In tetrahydrofuran Product distribution; Ambient temperature; further vinyl epoxides, further isocyanates, further ligands for the palladium catalyst; method for synthesis of oxazolidin-2-ones;	100%
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; triisopropyl phosphite In tetrahydrofuran Ambient temperature;	100%

: 92-67-1
4-Aminobiphenyl

: 4083-64-1
Tosyl isocyanate

: 128924-19-6
C20H18N2O3S

Conditions

Conditions	Yield
In toluene	100%

: 92148-63-5
tropone benzoylhydrazone

: 4083-64-1
Tosyl isocyanate

: 106345-93-1
1-benzamido-1,2,3,3a-tetrahydro-2-oxo-3-tosylcycloheptimidazole

Conditions

Conditions	Yield
In chloroform for 3h; Ambient temperature;	100%

: 4083-64-1
Tosyl isocyanate

: 83785-95-9
4-nitrobenzaldehyde-N,N-dicyclohexylhydrazone

: 112080-77-0
p-Nitrophenyl-glyoxylsaeure-p-tolylsulfonamid-N,N-dicyclohexylhydrazon

Conditions

Conditions	Yield
In tetrachloromethane for 672h; Ambient temperature;	100%
In tetrachloromethane for 672h; Ambient temperature; Yield given;

: 4083-64-1
Tosyl isocyanate

: 115914-08-4
(S)-N-(1-phenylethyl)prop-2-en-1-amine

: 133981-11-0
(S)-N-(1-Phenyleth-1-yl)-N-(prop-2-en-1-yl)-N'-tosylurea

Conditions

Conditions	Yield
for 1h; Ambient temperature;	100%

: 4083-64-1
Tosyl isocyanate

: 133981-08-5
(S)-N-(1-Phenyleth-1-yl)-N-<(E)-hex-2-en-1-yl>-amine

: 133981-12-1
(S)-N-(1-Phenyleth-1-yl)-N-<(E)-hex-2-en-1-yl>-N'-tosylurea

Conditions

Conditions	Yield
for 1h; Ambient temperature;	100%

: 4083-64-1
Tosyl isocyanate

: 111036-08-9, 111068-24-7
C12H18O

: N-para-toluenesulphonylspiro(bicyclo<2.2.2>octane-2,1'-<4>cyclopenten-3-yl)carbamate

Conditions

Conditions	Yield
In benzene Ambient temperature;	100%

: 4083-64-1
Tosyl isocyanate

: 108473-15-0
tert-Butyl-dimethyl-[(S)-1-((2R,3S)-3-vinyl-oxiranyl)-ethoxy]-silane

: 108473-16-1
(4S,5R)-5-((S)-1-(tert-butyldimethylsilyloxy)ethyl)-3-tosyl-4-vinyloxazolidin-2-one

Conditions

Conditions	Yield
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; triisopropyl phosphite In tetrahydrofuran Ambient temperature;	100%

: 4083-64-1
Tosyl isocyanate

: (2S,3S)-2-((S)-1-Benzyloxymethoxy-ethyl)-3-vinyl-oxirane

: (4S,5R)-5-((S)-1-Benzyloxymethoxy-ethyl)-3-(toluene-4-sulfonyl)-4-vinyl-oxazolidin-2-one

Conditions

Conditions	Yield
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; triisopropylamine In tetrahydrofuran Product distribution; Ambient temperature; investigation of the stereo-(enantio- and diastereo-)selectivity of the oxazolidine-2-one formation;	100%
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; triisopropyl phosphite In tetrahydrofuran Ambient temperature;	100%

: 4083-64-1
Tosyl isocyanate

: 626-43-7
3,5-Dichloroaniline

: 128924-49-2
C14H12Cl2N2O3S

Conditions

Conditions	Yield
In dichloromethane	100%

: 4083-64-1
Tosyl isocyanate

: 90778-63-5
N-(3-hydroxypent-4-enyl)-4-methylbenzenesulfonamide

: 183605-06-3
C20H24N2O6S2

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In tetrahydrofuran 1.) 0 deg C, 1 h, 2.) room temperature, 1 h;	100%

: 4083-64-1
Tosyl isocyanate

: 107-18-6
allyl alcohol

: 18303-03-2
prop-2-en-1-yl (4-methylbenzene-1-sulfonyl)carbamate

Conditions

Conditions	Yield
With triethylamine In diethyl ether at 0 - 20℃; for 2.5h; Inert atmosphere;	100%
In 1,2-dichloro-ethane at 25℃; for 16h; Inert atmosphere;	99%
In dichloromethane for 3h; Inert atmosphere; Reflux;	98%

: 4083-64-1
Tosyl isocyanate

: 144486-49-7
[5-Amino-1-(2-hydroxy-ethyl)-1H-imidazol-4-yl]-imino-acetonitrile

: 357615-60-2
C23H23N7O7S2

Conditions

Conditions	Yield
In acetonitrile at 5℃; for 19h;	100%

: 37442-45-8
ethyl 2-(hydroxy(phenyl)methyl)propenoate

: 4083-64-1
Tosyl isocyanate

: 451491-99-9
C20H21NO6S

Conditions

Conditions	Yield
In dichloromethane at 20℃;	100%

: 4083-64-1
Tosyl isocyanate

: 147849-98-7
ethyl 2-((4-chlorophenyl)(hydroxy)methyl)acrylate

: 451492-01-6
ethyl 2-[(4-chlorophenyl)(tosylcarbamoyloxy)methyl]acrylate

Conditions

Conditions	Yield
In dichloromethane at 20℃;	100%
In dichloromethane at 20℃; for 0.5h;	93%

: 4083-64-1
Tosyl isocyanate

: 451491-91-1
ethyl 2-(hydroxy(naphthalen-2-yl)methyl)acrylate

: 451492-03-8
C24H23NO6S

Conditions

Conditions	Yield
In dichloromethane at 20℃;	100%

: 3918-87-4
N-L-phenylalanyl-L-alanine

: 4083-64-1
Tosyl isocyanate

: C20H23N3O6S

Conditions

Conditions	Yield
In acetone at 20℃; for 1h;	100%

: 4083-64-1
Tosyl isocyanate

: 487059-56-3
(3S,4Z,6S)-2,7-dimethyl-4-octene-3,6-diol

: 487059-79-0
C26H34N2O8S2

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 1h;	100%

: 597569-47-6
methyl N-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)glycocolate

: 4083-64-1
Tosyl isocyanate

: 597569-70-5
C26H26N2O5S

Conditions

Conditions	Yield
With triethylamine In acetone at 20℃;	100%

: 4083-64-1
Tosyl isocyanate

: 597569-46-5
methyl N-(5H-dibenzo[a,d]cyclohepten-5-yl)glycocolate

: 597569-56-7
C26H24N2O5S

Conditions

Conditions	Yield
With triethylamine In acetone at 20℃;	100%

: 4083-64-1
Tosyl isocyanate

: 597569-49-8
methyl N-[(5H-dibenzo[a,d]cyclopenten-5-yl)methylene]glycocolate

: 597569-61-4
C27H26N2O5S

Conditions

Conditions	Yield
With triethylamine In acetone at 20℃;	100%

: 4083-64-1
Tosyl isocyanate

: 597569-51-2
methyl N-[(5H-dibenzo[a,d]cyclopenten-5-yl)ethylene]glycocolate

: 597569-65-8
C28H28N2O5S

Conditions

Conditions	Yield
With triethylamine In acetone at 20℃;	100%

: 4083-64-1
Tosyl isocyanate

: 597569-50-1
methyl N-[(10,11-dihydro-5H-dibenzo[a,d]cyclopenten-5-yl)methylene]glycocolate

: 597569-75-0
C27H28N2O5S

Conditions

Conditions	Yield
With triethylamine In acetone at 20℃;	100%

: 4083-64-1
Tosyl isocyanate

: 597569-52-3
methyl N-[2-(10,11-dihydro-5H-dibenzo[a,d]cyclopenten-5-yl)ethyl]glycocolate

: 597569-80-7
C28H30N2O5S

Conditions

Conditions	Yield
With triethylamine In acetone at 20℃;	100%

: 15761-39-4
1-(tert-butoxycarbonyl)-L-proline

: 4083-64-1
Tosyl isocyanate

: 868759-55-1
(S)-tert-butyl 2-(tosylcarbamoyl)pyrrolidine-1-carboxylate

Conditions

Conditions	Yield
	100%

: 1142-20-7
N-Cbz-Ala

: 4083-64-1
Tosyl isocyanate

: 827624-89-5
[1-methyl-2-oxo-2-(toluene-4-sulfonylamino)-ethyl]-carbamic acid benzyl ester

Conditions

Conditions	Yield
	100%

: 7782-26-5
(R)-2-Phenylpropionic acid

: 4083-64-1
Tosyl isocyanate

: 4-methyl-N-(2-phenyl-propionyl)-benzenesulfonamide

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 0.5h;	100%

: 3705-42-8
Cbz-(L)-Glu-OBn

: 4083-64-1
Tosyl isocyanate

: 926623-04-3
(S)-2-Benzyloxycarbonylamino-5-oxo-5-(toluene-4-sulfonylamino)-pentanoic acid benzyl ester

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; for 0.5h;	100%

Tosyl isocyanate Chemical Properties

IUPAC Name: 4-Methyl-N-(oxomethylidene)benzenesulfonamide
Synonyms of p-Toluene sulphonyl isocyanate (CAS NO.4083-64-1): EINECS 223-810-8 ; Benzenesulfonyl isocyanate, 4-methyl- ; p-Toluenesulphonyl isocyanate ; p-Toluenesulfonic acid, anhydride with isocyanic acid
CAS NO: 4083-64-1
Molecular Formula: C₈H₇NO₃S
Molecular Weight: 197.2111
Molecular Structure:

Melting Point: 5°C
Product Categories: Benzene derivatives ; Benzene derivates ; Sulfur Compounds (for Synthesis) ; Synthetic Organic Chemistry
Polar Surface Area: 71.95 Å²
Index of Refraction: 1.566
Molar Refractivity: 50.33 cm³
Molar Volume: 154.2 cm³
Surface Tension: 48.7 dyne/cm
Density: 1.27 g/cm³
Flash Point: 128.5 °C
Enthalpy of Vaporization: 50.69 kJ/mol
Boiling Point: 288.8 °C at 760 mmHg
Vapour Pressure: 0.00396 mmHg at 25°C

Tosyl isocyanate Uses

p-Toluene sulphonyl isocyanate (CAS NO.4083-64-1) is used as a water scavenger in urethane products. End application include adhesives, coatings and sealants. It is also used as an intermediate in organic synthesis.

Tosyl isocyanate Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LC50	inhalation	> 640ppm/1H (640ppm)	SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA	International Journal of Toxicology. Vol. 19, Pg. 368, 2000.
rat	LD50	intraperitoneal	775mg/kg (775mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC	International Journal of Toxicology. Vol. 19, Pg. 368, 2000.
rat	LD50	oral	2234mg/kg (2234mg/kg)	GASTROINTESTINAL: OTHER CHANGES	International Journal of Toxicology. Vol. 19, Pg. 368, 2000.

Tosyl isocyanate Safety Profile

The Hazard Codes of p-Toluene sulphonyl isocyanate (CAS NO.4083-64-1): Xn
The Risk Statements information:
14: Reacts violently with water
42: May cause sensitization by inhalation
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
30: Never add water to this product
RIDADR: UN 2206 6.1/PG 3
WGK Germany: 1
RTECS: DB9032000
F: 10
HazardClass: 6.1
PackingGroup: III
Moderately toxic by ingestion and intraperitoneal routes. Low toxicity by inhalation. A mild skin and moderate eye irritant. When heated to decomposition it emits toxic vapors of NO_x and SO_x.

Product Name

Tosyl isocyanate

Synthetic route

Tosyl isocyanate Chemical Properties

Tosyl isocyanate Uses

Tosyl isocyanate Toxicity Data With Reference

Tosyl isocyanate Safety Profile

Tosyl isocyanate Standards and Recommendations

Tosyl isocyanate Specification

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