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N-(p-Tolylsulphonyl)-L-glutamic acid
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Name

N-(p-Tolylsulphonyl)-L-glutamic acid

 EINECS 225-390-1
CAS No. 4816-80-2 Density 1.421 g/cm3
PSA 129.15000 LogP 2.06300
Solubility N/A Melting Point 122-137 °C
Formula C12H15NO6S Boiling Point 534.2 °C at 760 mmHg
Molecular Weight 301.32 Flash Point 276.9 °C
Transport Information N/A Appearance white crystalline powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4816-80-2 (N-(p-Tolylsulphonyl)-L-glutamic acid) Hazard Symbols N/A
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;

Article Data 13

N-(p-Tolylsulphonyl)-L-glutamic acid Synthetic route

55666-46-1

C20H31NO6S

4816-80-2

N-tosyl-L-glutamic acid

Conditions
ConditionsYield
With trifluoroacetic acid In dichloromethane at 20℃;100%
56-86-0

L-glutamic acid

4816-80-2

N-tosyl-L-glutamic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 70℃;93%
56-86-0

L-glutamic acid

98-59-9

p-toluenesulfonyl chloride

4816-80-2

N-tosyl-L-glutamic acid

Conditions
ConditionsYield
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%
32677-01-3

L-glutamic acid di-tert-butyl ester hydrochloride

98-59-9

p-toluenesulfonyl chloride

4816-80-2

N-tosyl-L-glutamic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: triethylamine / dichloromethane / 1 h
2: trifluoroacetic acid / dichloromethane / 20 °C
View Scheme

dexmethylphenidate N-tosyl-l-glutamate Salt

4816-80-2

N-tosyl-L-glutamic acid

Conditions
ConditionsYield
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;
64-17-5

ethanol

4816-80-2

N-tosyl-L-glutamic acid

76616-47-2

N-[(4-methylphenyl)sulfonyl]-β-alanine ethyl ester

Conditions
ConditionsYield
With sulfuric acid Reflux;95%
83881-46-3, 163837-44-3, 163837-46-5

methyl 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]-acetate

4816-80-2

N-tosyl-L-glutamic acid

dextrorotatory methyl-2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetate N-[(4-methylphenyl)sulfonyl]-L-glutamate

Conditions
ConditionsYield
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%
553-26-4

4,4'-bipyridine

cobalt(II) nitrate hexahydrate

4816-80-2

N-tosyl-L-glutamic acid

[Co((+)-N-p-tolylsulfonylglutamate)(4,4'-bipyridine)](n)*H2O

Conditions
ConditionsYield
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%

zinc(II) nitrate hexahydrate

4816-80-2

N-tosyl-L-glutamic acid

1135-32-6

trans-1,2-bis(4-pyridyl)ethylene

[Zn(1,2-bis(4-pyridyl)ethylene)(N-carbamyl-L-glutamate)2H2O]

Conditions
ConditionsYield
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%
4816-80-2

N-tosyl-L-glutamic acid

6046-93-1

copper(II) acetate monohydrate

Cu(N-p-tolylsulfonyl-L-glutamate dianion)*H2O

Conditions
ConditionsYield
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%

N-(p-Tolylsulphonyl)-L-glutamic acid Specification

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

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