CAS No.5577-13-9,Ethyl N-(4-methylphenyl)sulfonylcarbamate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5577-13-9
Name:	Ethyl N-(4-methylphenyl)sulfonylcarbamate
Article Data:	25

Formula:	C₁₀H₁₃NO₄S
Molecular Weight:	243.284
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;
EINECS:	226-952-9
Density:	1.261 g/cm³
Boiling Point:	272℃ at 100.8-101kPa
PSA:	80.85000
LogP:	2.90150

Synthetic route

: 941-55-9
4-toluenesulfonyl azide

: 64-17-5
ethanol

: 201230-82-2
carbon monoxide

: 5577-13-9
Tosylurethane

Conditions

Conditions	Yield
With palladium diacetate In acetonitrile at 20℃; under 15 Torr; for 12h; Schlenk technique; Sealed tube;	94%

...Expand

: 5219-81-8
N,N'-carbonyl-bis(4-methylbenzenesulfonamide)

: 105-58-8
Diethyl carbonate

: 5577-13-9
Tosylurethane

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With diethylazodicarboxylate In tetrahydrofuran for 2h; Ambient temperature;	33%

: 93506-31-1
p-Toluol-(-N-carbethoxy)-iminosulfonsaeurechlorid

: 5577-13-9
Tosylurethane

Conditions

Conditions	Yield
With potassium hydroxide

: 10439-23-3
4-methylbenzenesulfinyl chloride

: 5577-13-9
Tosylurethane

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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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