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Cas Database |
| Name |
N-[(4-Methylphenyl)sulfonyl]glycine |
EINECS | 625-711-9 |
| CAS No. | 1080-44-0 | Density | 1.369 g/cm3 |
| PSA | 91.85000 | LogP | 1.82960 |
| Solubility | N/A | Melting Point |
147-149 °C(lit.) |
| Formula | C9H11NO4S | Boiling Point | 430 °C at 760 mmHg |
| Molecular Weight | 229.257 | Flash Point | 213.9 °C |
| Transport Information | N/A | Appearance | White crystalline powder |
| Safety | 26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Glycine,N-(p-tolylsulfonyl)- (6CI,7CI,8CI);((Toluene-4-sulfonyl)amino)acetic acid;(p-Toluenesulfonyl)glycine;2-(4-Methylphenylsulfonamido)acetic acid;N-(p-Toluenesulfonyl)glycine;N-(p-Tolylsulfonyl)glycine;N-Tosylglycine;N-p-(Toluenesulfonyl)aminoacetic acid;N-p-Tosylglycine;NSC 25821;Tosylglycine;[[(4-Methylphenyl)sulfonyl]amino]acetic acid;tos-gly-oh; |
Article Data | 63 |
N-[(4-Methylphenyl)sulfonyl]glycine Synthetic route
| Conditions | Yield |
|---|---|
| With sodium carbonate In water for 5h; | 99.34% |
| With sodium carbonate In water for 4h; | 99.34% |
| With triethylamine In tetrahydrofuran; water at 0 - 20℃; for 4h; Inert atmosphere; | 94% |
| Conditions | Yield |
|---|---|
| With lithium perchlorate In water; acetonitrile for 1h; Electrochemical reaction; | 48% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide | |
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| With potassium hydroxide | |
| Stage #1: 2-aminoethanoic acid hydrochloride With sodium hydroxide In water pH=9; Stage #2: p-toluenesulfonyl chloride In water at 25℃; for 4h; |
- 98-59-9
p-toluenesulfonyl chloride
- 56-40-6
glycine
A
- 95021-64-0
1,4-bis[(4-methylphenyl)sulfonyl]tetrahydropyrazine-2,5-dione
B
- 1080-44-0
N-Tosylglycine
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tetramethlyammonium chloride In ethanol at 25℃; Rate constant; μ=0.16 M; |
| Conditions | Yield |
|---|---|
| In ethanol; water |
- 29981-92-8
1-tosyl-3-methyl-imidazolium chloride
- 56-40-6
glycine
A
- 1080-44-0
N-Tosylglycine
B
- 35487-17-3
1-methylimidazolium chloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tetramethlyammonium chloride In ethanol at 25℃; Rate constant; μ=0.16 M; |
- 51060-12-9
1-tosyl-2,3-dimethylimidazolium chloride
- 56-40-6
glycine
A
- 1080-44-0
N-Tosylglycine
B
- 34531-53-8
2,3-dimethylimidazolium chloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tetramethlyammonium chloride In ethanol at 25℃; Rate constant; μ=0.16 M; |
N-[(4-Methylphenyl)sulfonyl]glycine Specification
The Glycine,N-[(4-methylphenyl)sulfonyl]-, with the CAS registry number 1080-44-0, has the systematic name of N-[(4-methylphenyl)sulfonyl]glycine. It belongs to the product category of Glycine [Gly, G]. And the molecular formula of the chemical is C9H11NO4S.
The characteristics of Glycine,N-[(4-methylphenyl)sulfonyl]- are as followings: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.48; (4)ACD/LogD (pH 7.4): -2.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.06 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 54.75 cm3; (15)Molar Volume: 167.4 cm3; (16)Polarizability: 21.7×10-24cm3; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.369 g/cm3; (19)Flash Point: 213.9 °C; (20)Enthalpy of Vaporization: 72.25 kJ/mol; (21)Boiling Point: 430 °C at 760 mmHg; (22)Vapour Pressure: 3.7E-08 mmHg at 25°C.
Preparation of Glycine,N-[(4-methylphenyl)sulfonyl]-: This chemical can be prepared by toluene-4-sulfonyl chloride and glycine. The reaction will need reagent NaOH, and the menstruum H2O. The reaction time is 0.5 hours with temperature of 60-70°C, and the yield is about 45%.
Uses of Glycine,N-[(4-methylphenyl)sulfonyl]-: It can react with 3-amino-chromen-2-one to produce N-(2-oxo-2H-chromen-3-yl)-2-(toluene-4-sulfonylamino)-acetamide. This reaction will need reagent DCC, and the menstruum dimethylformamide, triethylamine and dioxane. And the yield is about 43%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)NCC(=O)O
(2)InChI: InChI=1/C9H11NO4S/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
(3)InChIKey: VDKFCCZUCXYILI-UHFFFAOYAJ
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