6-[[(4-Methylphenyl)sulphonyl]amino]hexanoic acid supplier

Name
6-[[(4-methylphenyl)sulphonyl]amino]hexanoic acid
EINECS 278-934-5
CAS No. 78521-39-8
Article Data4
CAS DataBase
Density 1.222 g/cm³
Solubility 317mg/L at 25℃
Melting Point
Formula C₁₃H₁₉NO₄S
Boiling Point 475.2 °C at 760 mmHg
Molecular Weight 285.364
Flash Point 241.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Hexanoicacid, 6-p-toluenesulfonamido- (6CI,7CI);6-[(4-Methylbenzenesulfonyl)amino]caproic acid;NSC 38047;
PSA 91.85000
LogP 3.39000

Synthetic route

: 98-59-9
p-toluenesulfonyl chloride

: 60-32-2
6-aminohexanoic acid

: 78521-39-8
Tosyl-ε-aminocapronsaeure

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran for 2h;	95%
With sodium carbonate In water at 90℃; for 1h;	80%
With sodium hydroxide

: 105-60-2
caprolactam

: 78521-39-8
Tosyl-ε-aminocapronsaeure

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C / Inert atmosphere 1.2: 2 h / -78 - 20 °C / Inert atmosphere 2.1: lithium hydroxide / tetrahydrofuran; water / 0.5 h / 20 °C / Inert atmosphere View Scheme

: 70-55-3
toluene-4-sulfonamide

: 78521-39-8
Tosyl-ε-aminocapronsaeure

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C / Inert atmosphere 1.2: 2 h / -78 - 20 °C / Inert atmosphere 2.1: lithium hydroxide / tetrahydrofuran; water / 0.5 h / 20 °C / Inert atmosphere View Scheme

: 23438-55-3
1-(4-Methylbenzene)sulfonyl-2H-hexahydroazepin-2-one

: 78521-39-8
Tosyl-ε-aminocapronsaeure

Conditions

Conditions	Yield
With lithium hydroxide In tetrahydrofuran; water at 20℃; for 0.5h; Inert atmosphere;

: 67-56-1
methanol

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 67370-67-6
6-<<(4-Methylphenyl)sulfonyl>amino>hexansaeure-methylester

Conditions

Conditions	Yield
With sulfuric acid at 25℃; for 48h;	100%

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 100800-85-9
6-(4-methylphenylsulfonamido)hexanamide

Conditions

Conditions	Yield
With urea at 180 - 200℃; for 4h;	60%

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 23438-55-3
1-(4-Methylbenzene)sulfonyl-2H-hexahydroazepin-2-one

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;	42%
at 125℃; under 0.01 Torr;
With thionyl chloride
With phosphorus pentachloride

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 77-78-1
dimethyl sulfate

: 6954-30-9
6-[methyl-(toluene-4-sulfonyl)-amino]-hexanoic acid

Conditions

Conditions	Yield
With sodium hydroxide

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 72676-81-4
N-Tosyl-ε-aminocapronsaeurechlorid

Conditions

Conditions	Yield
With thionyl chloride
With thionyl chloride for 1h; Heating;

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: C26H36N2O7S2

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In tetrahydrofuran at 0℃; for 0.333333h; Condensation;
With dicyclohexyl-carbodiimide In 1,4-dioxane at 0℃;

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 6-(toluene-4-sulfonylamino)-hexanoic acid 3-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-4-oxo-2-trifluoromethyl-4H-chromen-7-yl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dicyclohexylcarbodiimide / tetrahydrofuran / 0.33 h / 0 °C 2: 4-dimethylaminopyridine / tetrahydrofuran / 0 °C View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 20255-86-1
N-(5-Amino-pentyl)-4-methyl-benzenesulfonamide; hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 60 percent / urea / 4 h / 180 - 200 °C 2: 70 percent / 1.) phenyliodosyl bis(trifluoroacetate), 2.) HCl conc. / 1.) MeCN-H2O, RT, 6 h, 2.) H2O View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 93235-95-1
3-(3-Cyano-phenyl)-2-[6-(toluene-4-sulfonylamino)-hexanoylamino]-propionic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: SOCl2 / 1 h / Heating 2: NaOH (1 mol/l) / benzene; H2O / 12 h View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 93235-96-2
3-(4-Cyano-phenyl)-2-[6-(toluene-4-sulfonylamino)-hexanoylamino]-propionic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: SOCl2 / 1 h / Heating 2: NaOH (1 mol/l) / benzene; H2O / 12 h View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 93235-99-5
6-(Toluene-4-sulfonylamino)-hexanoic acid [1-(3-cyano-benzyl)-2-oxo-2-piperidin-1-yl-ethyl]-amide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: SOCl2 / 1 h / Heating 2: NaOH (1 mol/l) / benzene; H2O / 12 h 3: DCC / pyridine / 24 h 4: pyridine / 24 h / Ambient temperature View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 93236-00-1
6-(Toluene-4-sulfonylamino)-hexanoic acid [1-(4-cyano-benzyl)-2-oxo-2-piperidin-1-yl-ethyl]-amide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: SOCl2 / 1 h / Heating 2: NaOH (1 mol/l) / benzene; H2O / 12 h 3: DCC / pyridine / 24 h 4: pyridine / 24 h / Ambient temperature View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 93236-01-2
6-(Toluene-4-sulfonylamino)-hexanoic acid [2-oxo-2-piperidin-1-yl-1-(3-thiocarbamoyl-benzyl)-ethyl]-amide

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: SOCl2 / 1 h / Heating 2: NaOH (1 mol/l) / benzene; H2O / 12 h 3: DCC / pyridine / 24 h 4: pyridine / 24 h / Ambient temperature 5: TEA, H2S / pyridine / 48 h / Ambient temperature View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 93236-02-3
6-(Toluene-4-sulfonylamino)-hexanoic acid [2-oxo-2-piperidin-1-yl-1-(4-thiocarbamoyl-benzyl)-ethyl]-amide

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: SOCl2 / 1 h / Heating 2: NaOH (1 mol/l) / benzene; H2O / 12 h 3: DCC / pyridine / 24 h 4: pyridine / 24 h / Ambient temperature 5: TEA, H2S / pyridine / 48 h / Ambient temperature View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 93235-98-4
3-(4-Cyano-phenyl)-2-[6-(toluene-4-sulfonylamino)-hexanoylamino]-propionic acid 4-nitro-phenyl ester

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: SOCl2 / 1 h / Heating 2: NaOH (1 mol/l) / benzene; H2O / 12 h 3: DCC / pyridine / 24 h View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 93235-97-3
3-(3-Cyano-phenyl)-2-[6-(toluene-4-sulfonylamino)-hexanoylamino]-propionic acid 4-nitro-phenyl ester

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: SOCl2 / 1 h / Heating 2: NaOH (1 mol/l) / benzene; H2O / 12 h 3: DCC / pyridine / 24 h View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 93236-05-6
Nα-Tosyl-(ε-aminocapronyl)-3-amidinophenylalaninpiperididhydroiodid

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: SOCl2 / 1 h / Heating 2: NaOH (1 mol/l) / benzene; H2O / 12 h 3: DCC / pyridine / 24 h 4: pyridine / 24 h / Ambient temperature 5: TEA, H2S / pyridine / 48 h / Ambient temperature 6: 0.3 g / acetone / 48 h / Ambient temperature 7: 45 percent / CH3COONH4 / ethanol / 2.5 h / 60 °C View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 93236-06-7
Nα-Tosyl-(ε-aminocapronyl)-4-amidinophenylalaninpiperididhydroiodid

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: SOCl2 / 1 h / Heating 2: NaOH (1 mol/l) / benzene; H2O / 12 h 3: DCC / pyridine / 24 h 4: pyridine / 24 h / Ambient temperature 5: TEA, H2S / pyridine / 48 h / Ambient temperature 6: 0.3 g / acetone / 48 h / Ambient temperature 7: 60 percent / CH3COONH4 / ethanol / 2.5 h / 60 °C View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 93236-03-4
3-{3-Oxo-3-piperidin-1-yl-2-[6-(toluene-4-sulfonylamino)-hexanoylamino]-propyl}-thiobenzimidic acid methyl ester; hydriodide

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: SOCl2 / 1 h / Heating 2: NaOH (1 mol/l) / benzene; H2O / 12 h 3: DCC / pyridine / 24 h 4: pyridine / 24 h / Ambient temperature 5: TEA, H2S / pyridine / 48 h / Ambient temperature 6: 0.3 g / acetone / 48 h / Ambient temperature View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 93236-04-5
4-{3-Oxo-3-piperidin-1-yl-2-[6-(toluene-4-sulfonylamino)-hexanoylamino]-propyl}-thiobenzimidic acid methyl ester; hydriodide

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: SOCl2 / 1 h / Heating 2: NaOH (1 mol/l) / benzene; H2O / 12 h 3: DCC / pyridine / 24 h 4: pyridine / 24 h / Ambient temperature 5: TEA, H2S / pyridine / 48 h / Ambient temperature 6: 0.3 g / acetone / 48 h / Ambient temperature View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 63702-61-4
6,6'-<<(4-Methylphenyl)sulfonyl>imino>bishexansaeure

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 100 percent / conc. H2SO4 / 48 h / 25 °C 2: potassium t-butylate / 2-methyl-propan-2-ol / 24 h / Heating 3: NaOH / H2O; ethanol / Heating View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 63730-77-8
6,6'-<<(4-Methylphenyl)sulfonyl>imino>bis(hexanoylchlorid)

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 100 percent / conc. H2SO4 / 48 h / 25 °C 2: potassium t-butylate / 2-methyl-propan-2-ol / 24 h / Heating 3: NaOH / H2O; ethanol / Heating 4: 95 percent / oxalyl chloride / benzene / 48 h / Ambient temperature View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 63702-63-6
1-<(4-Methylphenyl)sulfonyl>-1,8,15-triazacycloheneicosan

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 100 percent / conc. H2SO4 / 48 h / 25 °C 2: potassium t-butylate / 2-methyl-propan-2-ol / 24 h / Heating 3: NaOH / H2O; ethanol / Heating 4: 95 percent / oxalyl chloride / benzene / 48 h / Ambient temperature 5: 55 percent / toluene / 0 - 2 °C 6: 1.) 1N BH3, 2.) 6N HCl / 1.) THF, 1 h, room temp., 2 h, reflux, 2.) ethanol, 1 h, reflux View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 6-[(5-Methoxycarbonyl-pentyl)-(toluene-4-sulfonyl)-amino]-hexanoic acid methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 100 percent / conc. H2SO4 / 48 h / 25 °C 2: potassium t-butylate / 2-methyl-propan-2-ol / 24 h / Heating View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 63702-62-5
8-<(4-Methylphenyl)sulfonyl>-1,8,15-triazacycloheneicosan-2,14-dion

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 100 percent / conc. H2SO4 / 48 h / 25 °C 2: potassium t-butylate / 2-methyl-propan-2-ol / 24 h / Heating 3: NaOH / H2O; ethanol / Heating 4: 95 percent / oxalyl chloride / benzene / 48 h / Ambient temperature 5: 55 percent / toluene / 0 - 2 °C View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 63702-65-8
8,22-Bis<(4-methylphenyl)sulfonyl>-1,8,15,22-tetraazabicyclo<13.13.6>tetratriacontan

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1: 100 percent / conc. H2SO4 / 48 h / 25 °C 2: potassium t-butylate / 2-methyl-propan-2-ol / 24 h / Heating 3: NaOH / H2O; ethanol / Heating 4: 95 percent / oxalyl chloride / benzene / 48 h / Ambient temperature 5: 55 percent / toluene / 0 - 2 °C 6: 1.) 1N BH3, 2.) 6N HCl / 1.) THF, 1 h, room temp., 2 h, reflux, 2.) ethanol, 1 h, reflux 7: 50 percent / triethylamine / benzene; toluene 8: 1.) 1M BH3, 2.) conc. H2SO4 / 1.) THF, 1 h, ice-bath temp. to room temp., 14 h, reflux, 2.) ethanol, reflux View Scheme
Multi-step reaction with 6 steps 1: 100 percent / conc. H2SO4 / 48 h / 25 °C 2: potassium t-butylate / 2-methyl-propan-2-ol / 24 h / Heating 3: NaOH / H2O; ethanol / Heating 4: 95 percent / oxalyl chloride / benzene / 48 h / Ambient temperature 5: 50 percent / triethylamine / benzene; toluene 6: 1.) 1M BH3, 2.) conc. H2SO4 / 1.) THF, 1 h, ice-bath temp. to room temp., 14 h, reflux, 2.) ethanol, reflux View Scheme

Yield

Multi-step reaction with 8 steps
1: 100 percent / conc. H2SO4 / 48 h / 25 °C
2: potassium t-butylate / 2-methyl-propan-2-ol / 24 h / Heating
3: NaOH / H2O; ethanol / Heating
4: 95 percent / oxalyl chloride / benzene / 48 h / Ambient temperature
5: 55 percent / toluene / 0 - 2 °C
6: 1.) 1N BH3, 2.) 6N HCl / 1.) THF, 1 h, room temp., 2 h, reflux, 2.) ethanol, 1 h, reflux
7: 50 percent / triethylamine / benzene; toluene
8: 1.) 1M BH3, 2.) conc. H2SO4 / 1.) THF, 1 h, ice-bath temp. to room temp., 14 h, reflux, 2.) ethanol, reflux
View Scheme

Multi-step reaction with 6 steps
1: 100 percent / conc. H2SO4 / 48 h / 25 °C
2: potassium t-butylate / 2-methyl-propan-2-ol / 24 h / Heating
3: NaOH / H2O; ethanol / Heating
4: 95 percent / oxalyl chloride / benzene / 48 h / Ambient temperature
5: 50 percent / triethylamine / benzene; toluene
6: 1.) 1M BH3, 2.) conc. H2SO4 / 1.) THF, 1 h, ice-bath temp. to room temp., 14 h, reflux, 2.) ethanol, reflux
View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 63702-64-7
8,22-Bis<(4-methylphenyl)sulfonyl>-1,8,15,22-tetraazabicyclo<13.13.6>tetratriacontan-2,14-dion

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: 100 percent / conc. H2SO4 / 48 h / 25 °C 2: potassium t-butylate / 2-methyl-propan-2-ol / 24 h / Heating 3: NaOH / H2O; ethanol / Heating 4: 95 percent / oxalyl chloride / benzene / 48 h / Ambient temperature 5: 55 percent / toluene / 0 - 2 °C 6: 1.) 1N BH3, 2.) 6N HCl / 1.) THF, 1 h, room temp., 2 h, reflux, 2.) ethanol, 1 h, reflux 7: 50 percent / triethylamine / benzene; toluene View Scheme
Multi-step reaction with 5 steps 1: 100 percent / conc. H2SO4 / 48 h / 25 °C 2: potassium t-butylate / 2-methyl-propan-2-ol / 24 h / Heating 3: NaOH / H2O; ethanol / Heating 4: 95 percent / oxalyl chloride / benzene / 48 h / Ambient temperature 5: 50 percent / triethylamine / benzene; toluene View Scheme

Yield

Multi-step reaction with 7 steps
1: 100 percent / conc. H2SO4 / 48 h / 25 °C
2: potassium t-butylate / 2-methyl-propan-2-ol / 24 h / Heating
3: NaOH / H2O; ethanol / Heating
4: 95 percent / oxalyl chloride / benzene / 48 h / Ambient temperature
5: 55 percent / toluene / 0 - 2 °C
6: 1.) 1N BH3, 2.) 6N HCl / 1.) THF, 1 h, room temp., 2 h, reflux, 2.) ethanol, 1 h, reflux
7: 50 percent / triethylamine / benzene; toluene
View Scheme

Multi-step reaction with 5 steps
1: 100 percent / conc. H2SO4 / 48 h / 25 °C
2: potassium t-butylate / 2-methyl-propan-2-ol / 24 h / Heating
3: NaOH / H2O; ethanol / Heating
4: 95 percent / oxalyl chloride / benzene / 48 h / Ambient temperature
5: 50 percent / triethylamine / benzene; toluene
View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 26410-96-8
6-(methylamino)hexanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaOH-solution 2: hydrochloric acid / 100 °C View Scheme

: 78521-39-8
Tosyl-ε-aminocapronsaeure

: 6-(N-methyl-ureido)-hexanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: NaOH-solution 2: hydrochloric acid / 100 °C 3: hydrochloric acid View Scheme

6-[[(4-Methylphenyl)sulphonyl]amino]hexanoic acid Specification

The 6-[[(4-Methylphenyl)sulphonyl]amino]hexanoic acid with the CAS number 78521-39-8 is also called Hexanoic acid,6-[[(4-methylphenyl)sulfonyl]amino]-. Its molecular formula is C₁₃H₁₉NO₄S. The EINECS registry number is 278-934-5. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 6-[[(4-Methylphenyl)sulphonyl]amino]hexanoic acid are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 2.79; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42.08; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 72.06 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 73.28 cm³; (15)Molar Volume: 233.4 cm³; (16)Polarizability: 29.05×10^-24cm³; (17)Surface Tension: 47.3 dyne/cm; (18)Enthalpy of Vaporization: 77.82 kJ/mol; (19)Vapour Pressure: 7.73×10^-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)NCCCCCC(=O)O
(2)InChI: InChI=1/C13H19NO4S/c1-11-6-8-12(9-7-11)19(17,18)14-10-4-2-3-5-13(15)16/h6-9,14H,2-5,10H2,1H3,(H,15,16)
(3)InChIKey: GLKZGJGPYOFPKV-UHFFFAOYAK

Product Name

6-[[(4-methylphenyl)sulphonyl]amino]hexanoic acid

Synthetic route

6-[[(4-Methylphenyl)sulphonyl]amino]hexanoic acid Specification

Related Products

Hot Products