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

Name
N-(p-Tolylsulphonyl)-L-glutamic acid
EINECS 225-390-1
CAS No. 4816-80-2
Article Data13
CAS DataBase
Density 1.421 g/cm³
Solubility
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
Appearance white crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 129.15000
LogP 2.06300

Synthetic route

: 55666-46-1
C20H31NO6S

: 4816-80-2
N-tosyl-L-glutamic acid

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 20℃;	100%

: 56-86-0
L-glutamic acid

: 4816-80-2
N-tosyl-L-glutamic acid

Conditions

Conditions	Yield
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

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%

: 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

Conditions	Yield
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

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;

: 64-17-5
ethanol

: 4816-80-2
N-tosyl-L-glutamic acid

: 76616-47-2
N-[(4-methylphenyl)sulfonyl]-β-alanine ethyl ester

Conditions

Conditions	Yield
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

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%

: 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

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%

...Expand

: 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

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%

...Expand

: 4816-80-2
N-tosyl-L-glutamic acid

: 6046-93-1
copper(II) acetate monohydrate

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

Conditions

Conditions	Yield
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%

: 4816-80-2
N-tosyl-L-glutamic acid

: 108590-52-9
2-(4'-methylbenzenesulfonyl)-L-glutamic acid dichloride

Conditions

Conditions	Yield
With thionyl chloride for 0.5h; Heating;	79.7%
With diethyl ether; phosphorus pentachloride

: 4816-80-2
N-tosyl-L-glutamic acid

: 21957-65-3
1-(4'-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxylic acid

Conditions

Conditions	Yield
With acetyl chloride for 2h; Heating;	74.46%
With dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;	63%
With chloroform; phosphorus trichloride

: 581-47-5
4-(2-pyridyl)pyridine

: cobalt(II) nitrate hexahydrate

: 4816-80-2
N-tosyl-L-glutamic acid

: [Co((+)-N-p-tolylsulfonylglutamate)(2,4'-bipyridine)2(H2O)2](n)*5nH2O

Conditions

Conditions	Yield
In water High Pressure; mixing of Co(NO3)2*6H2O, N-p-tolylsulfonyl-L-glutamic acid and 2,4'-bipyin H2O in Teflon reactor, heating to 120°C for 3 d; slow cooling to room temp., crystn., elem. anal.;	70.3%

...Expand

: cadmium(II) acetate hydrate

: 4816-80-2
N-tosyl-L-glutamic acid

: Cd2(N-p-tolylsulfonyl-L-glutamate dianion)2(H2O)6

Conditions

Conditions	Yield
In ethanol; water addn. of aq. soln. of Cd-salt to EtOH soln. of ligand; crystn. on concn.; elem. anal.;	70%

: zinc(II) acetate hydrate

: 4816-80-2
N-tosyl-L-glutamic acid

: [Zn(N-p-tolylsulfonyl-L-glutamate dianion)(H2O)2]*H2O

Conditions

Conditions	Yield
In ethanol; water addn. of aq. soln. of Zn-salt to EtOH soln. of ligand; crystn. on concn.; elem. anal.;	70%

: 67-56-1
methanol

: 4816-80-2
N-tosyl-L-glutamic acid

: 95305-51-4
dimethyl (2S)-2-{[(4-methylphenyl)sulfonyl]amino}pentane-1,5-dioate

Conditions

Conditions	Yield
With sulfuric acid Reflux;	69%
With chloro-trimethyl-silane cooling;

: 581-47-5
4-(2-pyridyl)pyridine

: 4816-80-2
N-tosyl-L-glutamic acid

: 5970-45-6
zinc(II) acetate dihydrate

: 1431535-97-5
[zinc(2,4'-bipyridine)(H2O)((+)-N-tosyl-L-glutamate)]

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water for 0.166667h; pH=6;	68%

...Expand

: 76-99-3
Methadone

: 4816-80-2
N-tosyl-L-glutamic acid

: (6R)-6-(dimethylamino)-4,4-diphenyl-3-heptanone-(+)-N-tosyl glutamate salt

Conditions

Conditions	Yield
In acetone at 25 - 55℃; Solvent;	66%

: 66-71-7
1,10-Phenanthroline

: 4816-80-2
N-tosyl-L-glutamic acid

: 7732-18-5
water

: 5970-45-6
zinc(II) acetate dihydrate

: Zn2(N-tosyl-L-glutamic acid(-2H))2(1,10-phenanthroline)2(H2O)2

Conditions

Conditions	Yield
With sodium fluoride at 120℃; for 120h;	65%

...Expand

: 67-56-1
methanol

: 17252-51-6
1,3-di(4-pyridyl)propane

: 4816-80-2
N-tosyl-L-glutamic acid

: 5970-45-6
zinc(II) acetate dihydrate

: [Zn(C12H13NO6S-Me)2(1,3-bis(4-pyridyl)propane)2]

Conditions

Conditions	Yield
With NaOH In methanol; water High Pressure; Zn compd., N-tosyl-L-glutamic acid, bpp, and NaOH (1:1:1:2 molar ratio) in H2O/MeOH (1/1) stirerd for 5 min; filtered, crystd. on storage at room temp. for 3 d, septd., elem. anal.;	62%

...Expand

: 66-71-7
1,10-Phenanthroline

: 4816-80-2
N-tosyl-L-glutamic acid

: 5970-45-6
zinc(II) acetate dihydrate

: Zn2(N-tosyl-L-glutamic acid(-2H))2(1,10-phenanthroline)2

Conditions

Conditions	Yield
With sodium fluoride In water at 120℃; for 120h;	61%

...Expand

: 553-26-4
4,4'-bipyridine

: nickel(II) nitrate hexahydrate

: 4816-80-2
N-tosyl-L-glutamic acid

[Ni((+)-N-p-tolylsulfonyl-L-glutamate)(4,4'-bipyridine)2(H2O)0.5](n)*0.5nH2O: [Ni((+)-N-p-tolylsulfonyl-L-glutamate)(4,4'-bipyridine)2(H2O)0.5](n)*0.5nH2O

Conditions

Conditions	Yield
In water High Pressure; mixing of Ni(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.;	56%

...Expand

: 288-32-4
1H-imidazole

: 4816-80-2
N-tosyl-L-glutamic acid

: 5970-45-6
zinc(II) acetate dihydrate

: 1431535-96-4
[zinc(imidazole)(H2O)((+)-N-tosyl-L-glutamate)]

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water for 0.166667h; pH=6;	56%

...Expand

: 66-71-7
1,10-Phenanthroline

: cadmium(II) nitrate tetrhydrate

: 4816-80-2
N-tosyl-L-glutamic acid

: C12H13NO6S(2-)*Cd(2+)*C12H8N2

Conditions

Conditions	Yield
With sodium hydroxide In water at 140℃; for 168h; pH=5;	53.2%

...Expand

: 4816-80-2
N-tosyl-L-glutamic acid

: 6046-93-1
copper(II) acetate monohydrate

: potassium hydroxide

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

B: K[Cu(N-p-tolylsulfonyl-L-glutamate trianion)]*3H2O

Conditions

Conditions	Yield
In ethanol; water addn. of hot aq. soln. of Cu-salt to EtOH soln. of ligand, crystn. on cooling to room temp., collection of first product, addn. of KOH to filtrate to pH 9; pptn. on addn. of dioxane; elem. anal.;	A n/a B 50%

...Expand

: 288-32-4
1H-imidazole

: cadmium(II) nitrate tetrhydrate

: 4816-80-2
N-tosyl-L-glutamic acid

: C12H13NO6S(2-)*Cd(2+)*H2O*C3H4N2

Conditions

Conditions	Yield
With sodium hydroxide In water at 140℃; for 168h; pH=5;	47%

...Expand

: 462-08-8
pyridin-3-ylamine

: cadmium(II) nitrate tetrhydrate

: 4816-80-2
N-tosyl-L-glutamic acid

: 2C12H13NO6S(2-)*2Cd(2+)*5C5H6N2*2.5H2O

Conditions

Conditions	Yield
With sodium hydroxide In water at 140℃; for 168h; pH=5;	45.1%

...Expand

: 67-56-1
methanol

: 17252-51-6
1,3-di(4-pyridyl)propane

: 4816-80-2
N-tosyl-L-glutamic acid

: 5970-45-6
zinc(II) acetate dihydrate

: [Zn(C12H13NO6S-Me)2(1,3-bis(4-pyridyl)propane)]

Conditions

Conditions	Yield
With NaOH In methanol; water High Pressure; Zn compd., N-tosyl-L-glutamic acid, bpp, and NaOH (1:1:1:2 molar ratio) in H2O/MeOH (1/3) stirerd for 5 min; filtered, crystd. on storage at room temp. for 3 d, septd., elem. anal.;	45%

...Expand

: 462-08-8
pyridin-3-ylamine

: zinc(II) nitrate hexahydrate

: 4816-80-2
N-tosyl-L-glutamic acid

: C12H13NO6S(2-)*Zn(2+)*C5H6N2*3H2O

Conditions

Conditions	Yield
With sodium hydroxide In water at 140℃; for 168h; pH=5;	45%

...Expand

: 581-47-5
4-(2-pyridyl)pyridine

: nickel(II) nitrate hexahydrate

: 4816-80-2
N-tosyl-L-glutamic acid

: Ni((+)-N-p-tolylsulfonylglutamate)(2,4'-bipyridine)2(H2O)2](n)*5nH2O

Conditions

Conditions	Yield
In water High Pressure; mixing of Ni(NO3)2*6H2O, N-p-tolylsulfonyl-L-glutamic acid and 2,4'-bipyin H2O in Teflon reactor, heating to 120°C for 3 d; slow cooling to room temp., crystn., elem. anal.;	44.9%

...Expand

: 110-88-3
1,3,5-Trioxan

: 4816-80-2
N-tosyl-L-glutamic acid

: 91958-79-1
3-[(4S)-5-oxo-3-(toluene-4-sulfonyl)-oxazolidin-4-yl]-propionic acid

Conditions

Conditions	Yield
With dichloromethane; toluene-4-sulfonic acid; benzene
With thionyl chloride; acetic anhydride; acetic acid

: 50-00-0
formaldehyd

: 4816-80-2
N-tosyl-L-glutamic acid

: 91958-79-1
3-[(4S)-5-oxo-3-(toluene-4-sulfonyl)-oxazolidin-4-yl]-propionic acid

Conditions

Conditions	Yield
With thionyl chloride; acetic anhydride; acetic acid
With toluene-4-sulfonic acid at 135℃;

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

Product Name

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

Synthetic route

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

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