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941-55-9

Basic Information
CAS No.: 941-55-9
Name: Tosyl azide
Article Data: 39
Molecular Structure:
Molecular Structure of 941-55-9 (Tosyl azide)
Formula: C7H7N3O2S
Molecular Weight: 197.217
Synonyms: p-Toluenesulfonylazide (6CI,7CI,8CI);4-Methylbenzenesulfonyl azide;Azido-p-toluenesulfonic acid;NSC 138649;Tosylazide;p-Methylphenylsulfonyl azide;p-Toluenesulfonazide;p-Toluenesulfonic acid azide;p-Tolylsulfonyl azide;p-Tosyl azide;
EINECS: 213-381-5
Density: ~0.90 g/mL at 20 °C
Melting Point: 22 °C
Flash Point: 4℃
Solubility: Dissolved in most organic solvents
Appearance: white crystal
Hazard Symbols: FlammableF
Risk Codes: 5
Safety: 16-35
PSA: 92.27000
LogP: 2.52756
Synthetic route
98-59-9

p-toluenesulfonyl chloride

941-55-9

4-toluenesulfonyl azide

Conditions
ConditionsYield
With sodium azide In water; isopropyl alcohol at 20℃; for 1h;100%
With sodium azide In water; acetone at 0 - 23℃; for 17h; Inert atmosphere;100%
With sodium azide In water; acetone at 0 - 23℃; for 17h; Inert atmosphere;100%
455-16-3

p-toluenesulfonyl fluoride

941-55-9

4-toluenesulfonyl azide

Conditions
ConditionsYield
With trimethylsilylazide; 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 50℃; for 1.5h;98%
104-15-4

toluene-4-sulfonic acid

941-55-9

4-toluenesulfonyl azide

Conditions
ConditionsYield
Stage #1: toluene-4-sulfonic acid With trichloroisocyanuric acid; triphenylphosphine In tetrahydrofuran at 0 - 5℃; for 0.25h;
Stage #2: With sodium azide In tetrahydrofuran at 5 - 20℃; for 0.0166667h; Solvent;
97%
With sodium azide; trichloroacetonitrile; triphenylphosphine In acetonitrile at 20℃; for 3h;95%
Stage #1: toluene-4-sulfonic acid With 1-ethyl-3-methylimidazolium tetrafluoroborate; triethylamine at 0℃; for 0.0833333h;
Stage #2: With sodium azide; bis(trichloromethyl) carbonate at 0 - 25℃; for 1.5h;
89%
With sodium azide; trichloroisocyanuric acid; triphenylphosphine In tetrahydrofuran at 20℃;
1576-35-8

toluene-4-sulfonic acid hydrazide

941-55-9

4-toluenesulfonyl azide

Conditions
ConditionsYield
With SHNC In water for 0.75h; Ambient temperature;96%
With dinitrogen tetraoxide In tetrachloromethane; acetonitrile at -20℃; for 0.166667h; Product distribution; other t;95%
With dinitrogen tetraoxide In tetrachloromethane; acetonitrile at -20℃; for 0.166667h;95%
70-55-3

toluene-4-sulfonamide

941-55-9

4-toluenesulfonyl azide

Conditions
ConditionsYield
With 3-azidosulfonyl-3H-imidazole-1-ium hydrogen sulfate; potassium carbonate In water; isopropyl alcohol at 20℃; for 18h; Solvent; Concentration;90%
With sodium azide In water; acetone at 20℃; for 2h;87%
With copper(ll) sulfate pentahydrate; sodium hydrogencarbonate; perfluorobutanesulfonyl azide In methanol; diethyl ether; water at 20℃; for 6h;81%

(η5-cyclopentadienyl)(p-toluenesulfonylimido-kN-thio-kS-ethene-2-thiolato-kS)cobalt(III)

A

941-55-9

4-toluenesulfonyl azide

B

86543-67-1

(η(5)-cyclopentadienyl)[1,2-bis(methoxycarbonyl)ethenethiolato-κS]cobalt(III)

Conditions
ConditionsYield
In neat (no solvent) 177-178°C;A 43%
B 88%
1028-19-9

1-(4'-methylbenzenesulfonyl)-1H-benzo[d][1.2.3]triazole

941-55-9

4-toluenesulfonyl azide

Conditions
ConditionsYield
With sodium azide; water In acetonitrile for 4h; Heating;88%
153718-76-4

7-Methoxy-1-<(4-methylphenyl)sulfonyl>-3,4-dihydropyrrolo<4,3,2-de>quinolin-8(1H)-one

A

941-55-9

4-toluenesulfonyl azide

B

160208-44-6

7-Methoxy-2,4-dihydropyrrolo<4,3,2-de>quinolin-8(1H)-one

Conditions
ConditionsYield
With sodium azide; N,N-dimethyl-formamide at 25℃; for 4h;A n/a
B 84%
263765-02-2

toluene-4-sulfonic acid 4-methyl-5-oxo-2,5-dihydro-furan-3-yl ester

A

941-55-9

4-toluenesulfonyl azide

B

516-09-6

4-hydroxy-3-methyl-5H-furan-2-one

C

4-azido-3-methyl-5H-furan-2-one

Conditions
ConditionsYield
With sodium azide In methanol at 20℃; Substitution;A n/a
B n/a
C 20%
263765-03-3

toluene-4-sulfonic acid 4-(3,4-dimethoxy-phenyl)-5-oxo-2,5-dihydro-furan-3-yl ester

A

941-55-9

4-toluenesulfonyl azide

B

263764-91-6

3-(3,4-dimethoxyphenyl)-4-hydroxy-5H-furan-2-one

C

4-azido-3-(3,4-dimethoxyphenyl)-5H-furan-2-one

Conditions
ConditionsYield
With sodium azide In methanol at 20℃; Substitution;A n/a
B n/a
C 20%
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    CAS: 941-55-9 MF: C7H7N3O2S MW: 197.21 EINECS: 213-381-5 Product Categories: Mol File: 941-55-9.mol Tosyl azide Structure Tosyl azide Chemical Properties Melting point 22 °C density ~0.90 g/mL at 20 °C refractive

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  • 941-55-9  CAS NO.941-55-9

  • Casno:

    941-55-9

    941-55-9 CAS NO.941-55-9

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    Tosyl azide CAS No.941-55-9

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Specification

The Tosyl azide, with the CAS registry number 941-55-9, is also known as p-Methylphenylsulfonyl azide. Its EINECS number is 213-381-5. This chemical's molecular formula is C7H7N3O2S and molecular weight is 197.21. What's more, its systematic name is 4-Methylbenzenesulfonyl azide. It is stable at common pressure and temperature. When heating, it may cause an explosion, so you should keep it away from sources of ignition - No smoking. This material and its container must be disposed of in a safe way. Tosyl azide is a reagent used in organic synthesis. This chemical is used for the introduction of azide and diazo functional groups. It is also used as a nitrene source and as a substrate for cycloaddition reactions. It can be prepared by the reaction of tosyl chloride with sodium azide in aqueous acetone.

Physical properties of Tosyl azide are: (1)ACD/LogP: 0.918; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.94; (6)ACD/BCF (pH 7.4): 2.94; (7)ACD/KOC (pH 5.5): 75.23; (8)ACD/KOC (pH 7.4): 75.23; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 70.67 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)([N-][N+]#N)c1ccc(cc1)C
(2)Std. InChI: InChI=1S/C7H7N3O2S/c1-6-2-4-7(5-3-6)13(11,12)10-9-8/h2-5H,1H3
(3)Std. InChIKey: NDLIRBZKZSDGSO-UHFFFAOYSA-N