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CAS No.: | 5577-13-9 |
---|---|
Name: | Ethyl N-(4-methylphenyl)sulfonylcarbamate |
Article Data: | 25 |
Molecular Structure: | |
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 |
Conditions | Yield |
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With palladium diacetate In acetonitrile at 20℃; under 15 Torr; for 12h; Schlenk technique; Sealed tube; | 94% |
N,N'-carbonyl-bis(4-methylbenzenesulfonamide)
Diethyl carbonate
Tosylurethane
Conditions | Yield |
---|---|
With silica gel-supported lanthanum(III) oxide at 150℃; for 10h; Autoclave; Inert atmosphere; | 90% |
Conditions | Yield |
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With potassium carbonate In acetone for 4h; Reflux; | 87% |
With sodium hydroxide |
Conditions | Yield |
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at 120℃; for 0.333333h; Sealed tube; Microwave irradiation; | 84% |
Conditions | Yield |
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With diethylazodicarboxylate In tetrahydrofuran for 2h; Ambient temperature; | 33% |
p-Toluol-(-N-carbethoxy)-iminosulfonsaeurechlorid
Tosylurethane
Conditions | Yield |
---|---|
With potassium hydroxide |
4-methylbenzenesulfinyl chloride
Tosylurethane
Conditions | Yield |
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Multi-step reaction with 2 steps 1: benzene 2: aq. KOH View Scheme |
methyl tosylcarbamate
Tosylurethane
Conditions | Yield |
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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 |
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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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