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CAS No.: | 4816-80-2 |
---|---|
Name: | N-(p-Tolylsulphonyl)-L-glutamic acid |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C12H15NO6S |
Molecular Weight: | 301.32 |
Synonyms: | Glutamicacid, N-(p-tolylsulfonyl)- (6CI,7CI);Glutamic acid, N-(p-tolylsulfonyl)-, L-(8CI);(+)-N-Tosyl-L-glutamic acid;(+)-p-Toluenesulfonylglutamic acid;N-Tosyl-L-glutamic acid;NSC 109186;Tosylglutamic acid;p-Toluenesulfonyl-L-glutamic acid; |
EINECS: | 225-390-1 |
Density: | 1.421 g/cm3 |
Melting Point: | 122-137 °C |
Boiling Point: | 534.2 °C at 760 mmHg |
Flash Point: | 276.9 °C |
Appearance: | white crystalline powder |
PSA: | 129.15000 |
LogP: | 2.06300 |
C20H31NO6S
N-tosyl-L-glutamic acid
Conditions | Yield |
---|---|
With trifluoroacetic acid In dichloromethane at 20℃; | 100% |
Conditions | Yield |
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With sodium hydroxide In water at 70℃; | 93% |
Conditions | Yield |
---|---|
Stage #1: L-glutamic acid; p-toluenesulfonyl chloride With sodium hydroxide In water at 70℃; for 1.5h; Stage #2: With hydrogenchloride In water at 0℃; pH=3; | 92% |
Stage #1: L-glutamic acid; p-toluenesulfonyl chloride With sodium hydroxide at 70℃; Stage #2: With hydrogenchloride at 0℃; pH=~ 3; | 92% |
Stage #1: L-glutamic acid With sodium hydroxide at 25 - 30℃; Stage #2: p-toluenesulfonyl chloride at 70 - 75℃; pH=< 9; | 76% |
L-glutamic acid di-tert-butyl ester hydrochloride
p-toluenesulfonyl chloride
N-tosyl-L-glutamic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: triethylamine / dichloromethane / 1 h 2: trifluoroacetic acid / dichloromethane / 20 °C View Scheme |
N-tosyl-L-glutamic acid
Conditions | Yield |
---|---|
Stage #1: dexmethylphenidate N-tosyl-l-glutamate Salt With sodium hydrogencarbonate In ethyl acetate at 40℃; for 0.5h; Stage #2: With hydrogenchloride In water; iso-butanol at 10 - 40℃; for 0.5h; |
ethanol
N-tosyl-L-glutamic acid
N-[(4-methylphenyl)sulfonyl]-β-alanine ethyl ester
Conditions | Yield |
---|---|
With sulfuric acid Reflux; | 95% |
methyl 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-acetate
N-tosyl-L-glutamic acid
Conditions | Yield |
---|---|
In water; isopropyl alcohol at 20 - 60℃; for 1h; Product distribution / selectivity; | 90.7% |
In water; isopropyl alcohol at 20 - 60℃; for 1h; Product distribution / selectivity; | 63.9% |
Conditions | Yield |
---|---|
In water High Pressure; mixing of Co(NO3)2*6H2O, N-p-tolylsulfonyl-L-glutamic acid and 4,4'-bipyin H2O in Teflon reactor, heating to 120°C for 3 d; slow cooling to room temp., crystn., elem. anal.; | 89% |
Conditions | Yield |
---|---|
Stage #1: zinc(II) nitrate hexahydrate; trans-1,2-bis(4-pyridyl)ethylene In ethanol; water; N,N-dimethyl-formamide for 0.166667h; Stage #2: N-tosyl-L-glutamic acid With sodium hydroxide In ethanol; water; N,N-dimethyl-formamide for 730.5h; | 83% |
Conditions | Yield |
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In ethanol; water addn. of hot aq. soln. of Cu-salt to EtOH soln. of ligand; crystn. on cooling to room temp.; elem. anal.; | 80% |
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This chemical is called L-Glutamic acid, N-[(4-methylphenyl)sulfonyl]-, and it can also be named as N-[(4-methylphenyl)sulfonyl]-L-glutamic acid. With the molecular formula of C12H15NO6S, its molecular weight is 301.32. The CAS registry number of this chemical is 4816-80-2. Additionally, it should be stored at the temperature of -20°C.
Other characteristics of the L-Glutamic acid, N-[(4-methylphenyl)sulfonyl]- can be summarised as followings: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.88; (4)ACD/LogD (pH 7.4): -4.08; (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: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 98.36 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 70.27 cm3; (15)Molar Volume: 211.9 cm3; (16)Polarizability: 27.86×10-24cm3; (17)Surface Tension: 61 dyne/cm; (18)Density: 1.421 g/cm3; (19)Flash Point: 276.9 °C; (20)Enthalpy of Vaporization: 85.3 kJ/mol; (21)Boiling Point: 534.2 °C at 760 mmHg; (22)Vapour Pressure: 3.05E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(c1ccc(cc1)C)N[C@H](C(=O)O)CCC(=O)O
2.InChI: InChI=1/C12H15NO6S/c1-8-2-4-9(5-3-8)20(18,19)13-10(12(16)17)6-7-11(14)15/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1 3.InChIKey: KKOZKXBAPIYWAT-JTQLQIEIBA