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Ethyl N-(4-methylphenyl)sulfonylcarbamate

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Name

Ethyl N-(4-methylphenyl)sulfonylcarbamate

EINECS 226-952-9
CAS No. 5577-13-9 Density 1.261 g/cm3
PSA 80.85000 LogP 2.90150
Solubility N/A Melting Point N/A
Formula C10H13NO4S Boiling Point 272℃ at 100.8-101kPa
Molecular Weight 243.284 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5577-13-9 (Ethyl N-(4-methylphenyl)sulfonylcarbamate) Hazard Symbols N/A
Synonyms

Carbamicacid, (p-tolylsulfonyl)-, ethyl ester (6CI,7CI,8CI);Carbamic acid,[(4-methylphenyl)sulfonyl]-, ethyl ester (9CI);Ethyl(p-toluenesulfonyl)carbamate;Ethyl (p-tolylsulfonyl)carbamate;EthylN-(4-methylbenzenesulfonyl)carbamate;Ethyl N-tosylcarbamate;Ethylp-tosylcarbamate;N-Tosylurethane;Tosylurethane;

Article Data 25

Ethyl N-(4-methylphenyl)sulfonylcarbamate Synthetic route

941-55-9

4-toluenesulfonyl azide

64-17-5

ethanol

201230-82-2

carbon monoxide

5577-13-9

Tosylurethane

Conditions
ConditionsYield
With palladium diacetate In acetonitrile at 20℃; under 15 Torr; for 12h; Schlenk technique; Sealed tube;94%
5219-81-8

N,N'-carbonyl-bis(4-methylbenzenesulfonamide)

105-58-8

Diethyl carbonate

5577-13-9

Tosylurethane

Conditions
ConditionsYield
With silica gel-supported lanthanum(III) oxide at 150℃; for 10h; Autoclave; Inert atmosphere;90%
541-41-3

chloroformic acid ethyl ester

70-55-3

toluene-4-sulfonamide

5577-13-9

Tosylurethane

Conditions
ConditionsYield
With potassium carbonate In acetone for 4h; Reflux;87%
With sodium hydroxide
64-17-5

ethanol

31224-37-0

n-butyl tosylcarbamate

5577-13-9

Tosylurethane

Conditions
ConditionsYield
at 120℃; for 0.333333h; Sealed tube; Microwave irradiation;84%
70-55-3

toluene-4-sulfonamide

1608-26-0

Hexamethylphosphorous triamide

5577-13-9

Tosylurethane

Conditions
ConditionsYield
With diethylazodicarboxylate In tetrahydrofuran for 2h; Ambient temperature;33%
93506-31-1

p-Toluol-(-N-carbethoxy)-iminosulfonsaeurechlorid

5577-13-9

Tosylurethane

Conditions
ConditionsYield
With potassium hydroxide
10439-23-3

4-methylbenzenesulfinyl chloride

5577-13-9

Tosylurethane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: benzene
2: aq. KOH
View Scheme
4083-64-1

Tosyl isocyanate

5577-13-9

Tosylurethane

14437-03-7

methyl tosylcarbamate

5577-13-9

Tosylurethane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 0.33 h / 120 °C / Sealed tube; Microwave irradiation
2: 0.33 h / 120 °C / Sealed tube; Microwave irradiation
View Scheme
70-55-3

toluene-4-sulfonamide

5577-13-9

Tosylurethane

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: triethylamine / dichloromethane / 0.17 h / 0 °C
1.2: 2.5 h / 0 - 20 °C
2.1: 0.33 h / 120 °C / Sealed tube; Microwave irradiation
3.1: 0.33 h / 120 °C / Sealed tube; Microwave irradiation
View Scheme
Multi-step reaction with 3 steps
1.1: triethylamine / dichloromethane / 0.17 h / 0 °C
1.2: 2.5 h / 0 - 20 °C
2.1: 0.33 h / 120 °C / Sealed tube; Microwave irradiation
3.1: 0.33 h / 120 °C / Sealed tube; Microwave irradiation
View Scheme

Ethyl N-(4-methylphenyl)sulfonylcarbamate Specification

This chemical is called Carbamic acid, N-[(4-methylphenyl)sulfonyl]-, ethyl ester, and its systematic name is Ethyl ((4-methylphenyl)sulphonyl)carbamate. With the molecular formula of C10H13NO4S, its molecular weight is 243.28. The CAS registry number of this chemical is 5577-13-9.

Other characteristics of theCarbamic acid, N-[(4-methylphenyl)sulfonyl]-, ethyl ester can be summarised as followings: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): -0.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.13; (8)ACD/KOC (pH 7.4): 2.59; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.06 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 59.59 cm3; (15)Molar Volume: 192.7 cm3; (16)Polarizability: 23.62×10-24cm3; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.261 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: O=S(=O)(c1ccc(cc1)C)NC(=O)OCC
2.InChI: InChI=1/C10H13NO4S/c1-3-15-10(12)11-16(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)
3.InChIKey: DFWQXANLGSXMKF-UHFFFAOYAG

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