Propyl p-toluenesulfonate supplier

Name
PROPYL P-TOLUENESULFONATE
EINECS 209-978-5
CAS No. 599-91-7
Article Data33
CAS DataBase
Density 1.146g/cm³
Solubility
Melting Point <-20 °C
Formula C10H14 O3 S
Boiling Point 320.8°Cat760mmHg
Molecular Weight 214.285
Flash Point 147.8°C
Transport Information
Appearance
Safety
Risk Codes R22;R36/37/38
Molecular Structure
Hazard Symbols
Synonyms p-Toluenesulfonicacid, propyl ester (6CI,7CI,8CI); NSC 11005; Propyl 4-methylbenzenesulfonate;Propyl 4-toluenesulfonate; Propyl p-toluenesulfonate; Propyl tosylate; n-Propyltosylate
PSA 51.75000
LogP 3.19110

Synthetic route

: 104-15-4
toluene-4-sulfonic acid

: 143885-02-3
propyloxy(diphenyl)-λ6-sulfanenitrile

A: 22731-83-5
S,S-diphenylsulphoximine

B: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
In chloroform-d1 at 20℃; for 1h;	A n/a B 98%

...Expand

: 71-23-8
propan-1-ol

: 98-59-9
p-toluenesulfonyl chloride

: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
With pyridine at 0℃; for 3h;	96%
With triethylamine In dichloromethane at 5 - 22℃; for 12.5h; Industry scale;	95%
With triethylamine In dichloromethane at 5 - 22℃; for 12.5h; Industry scale;	95%

: 71-23-8
propan-1-ol

: 104-15-4
toluene-4-sulfonic acid

: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
Stage #1: toluene-4-sulfonic acid With potassium phosphate monohydrate; bis(trichloromethyl) carbonate In dichloromethane at 0 - 5℃; for 0.0833333h; Stage #2: With triethylamine In dichloromethane at 20℃; for 0.333333h; Stage #3: propan-1-ol With trimethylamine hydrochloride In dichloromethane at 20℃; for 0.5h;	90%

: 71-23-8
propan-1-ol

: 824-79-3
sodium 4-methylbenzenesulfinate

: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
With iodine; sodium methylate In acetonitrile at 20℃; for 5h; Green chemistry;	63%

: 923-99-9
tri-n-propyl phosphite

: 104-15-4
toluene-4-sulfonic acid

: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
In 1,2-dichloro-ethane; toluene for 24h; Heating;	52%
In 1,2-dichloro-ethane for 24h; Product distribution; Heating; investigate effect of solvent and reaction time;	52%

: 71-23-8
propan-1-ol

: 459-44-9
4-methylbenzenediazonium tetrafluoroborate

: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
With 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; trifluoroacetic acid; copper(ll) bromide In dichloromethane at 20℃; for 12h;	41%

: 513-08-6
phosphoric acid tripropyl ester

: 104-15-4
toluene-4-sulfonic acid

: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
In toluene for 9h; Heating;	39%
In toluene for 9h; Product distribution; Heating; investigate effect of solvent and reaction time;	39%

: 71-23-8
propan-1-ol

: 98-59-9
p-toluenesulfonyl chloride

A: 111-43-3
Dipropyl ether

B: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
at 117℃; unter Durchleiten von Luft;

...Expand

: 111-43-3
Dipropyl ether

: 26908-82-7
acetyl p-toluenesulfonate

: 599-91-7
propyl tosylate

: 1789-95-3
dipropyl propylphosphonate

: 80-48-8
methyl p-toluene sulfonate

A: 18755-43-6
propanephosphonic acid dimethyl ester

B: 18755-44-7
Methyl propyl propylphosphonate

C: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
at 130 - 140℃; for 3.5h;

...Expand

: 108-88-3
toluene

: 599-91-7
propyl tosylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium chloride; chlorosulfonic acid / -0.16 °C 2: 39.84 °C View Scheme

: 599-91-7
propyl tosylate

: 603-35-0
triphenylphosphine

: 101610-04-2
triphenyl(propyl)phosphonium 4-methylbenzenesulfonate

Conditions

Conditions	Yield
	94%
In Petroleum ether

: 4-benzyloxy-1-phenethyl alcohol

: 599-91-7
propyl tosylate

: 1-(benzyloxy)-4-(2-propoxyethyl)benzene

Conditions

Conditions	Yield
In N-methyl-acetamide	94%

: 599-91-7
propyl tosylate

: 2314-50-3
dipropyltrithiocarbonate

Conditions

Conditions	Yield
With carbon disulfide; caesium carbonate In dimethyl sulfoxide at 20 - 25℃; for 4h; Inert atmosphere;	94%

: 599-91-7
propyl tosylate

: 629-19-6
Dipropyl disulfide

Conditions

Conditions	Yield
With sodium carbonate; sulfur; thiourea In water at 70℃; for 6h; Green chemistry;	91%

: 628-71-7
1-Heptyne

: 599-91-7
propyl tosylate

: 4-pentyl-1-propyl-1H-1,2,3-triazole

Conditions

Conditions	Yield
With sodium azide In water at 20℃; for 3.5h; Huisgen Cycloaddition; Green chemistry;	91%

: 84851-56-9
methyl 4-(1-hydroxy ethyl)benzoate

: 599-91-7
propyl tosylate

: (+)-methyl 4-(1-propoxyethyl)benzoate

Conditions

Conditions	Yield
In N-methyl-acetamide	90%

: 882175-40-8
(15β,16α)-16-hydroxy-15-(hydroxymethyl)beyeran-18-oic acid

: 599-91-7
propyl tosylate

: 1143505-97-8
n-propyl ent-15α-hydroxymethyl-16β-hydroxybeyeran-19-oate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile	90%

: 599-91-7
propyl tosylate

: 106092-09-5
(S)-4,5,6,7-tetrahydrobenzo[d]thiazol-2,6-diamine

: 943319-02-6
2-amino-6-propylamino-4,5,6,7-tetrahydrobenzothiazole p-toluenesulfonic acid

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In water; acetonitrile at 76℃; for 6h; Reagent/catalyst; Solvent; Temperature;	88.2%
In N,N-dimethyl-formamide at 20℃; for 96h;	64%
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide	54%

: 157432-87-6, 288302-11-4, 288302-12-5
5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene

: 599-91-7
propyl tosylate

: 137693-26-6
25,27-dipropoxy-26,28-dihydroxy-p-t-butylcalix[4]arene

Conditions

Conditions	Yield
With potassium carbonate In n-C3H7CN for 40h; Reflux;	88%
With potassium carbonate for 40h; Reflux;	88%

: 157432-87-6, 288302-11-4, 288302-12-5
5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene

: 599-91-7
propyl tosylate

: 308796-39-6
5,11,17,23-tetra-tert-butyl-25,26-dihydroxy-27,28-dipropoxy-calix<4>arene

Conditions

Conditions	Yield
With sodium hydroxide In water; dimethyl sulfoxide at 50 - 70℃; for 24h;	88%

: 117570-63-5
(5-Hydroxy-9-oxo-9H-xanthen-4-yl)-acetic acid

: 599-91-7
propyl tosylate

: 126157-97-9
(9-Oxo-5-propoxy-9H-xanthen-4-yl)-acetic acid

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl acetamide at 80℃; for 2h;	86%

: 67901-82-0
7-hydroxy-4-methyl-indan-1-one

: 599-91-7
propyl tosylate

: 94102-82-6
4-methyl-7-propoxyindan-1-one

Conditions

Conditions	Yield
With potassium carbonate In acetone Heating;	85%

: 827605-29-8
2-(4-chloro-phenyl)-5,5-dimethyl-[1,3,2]dioxaborinane

: 599-91-7
propyl tosylate

: 52944-34-0
1-chloro-4-propylbenzene

Conditions

Conditions	Yield
With copper(l) iodide; lithium tert-butoxide In N,N-dimethyl-formamide at 60℃; for 12h; Suzuki-Miyauri coupling; Inert atmosphere;	84%

: 5123-13-7
5,5-dimethyl-2-phenyl-1,3,2-dioxaborinane

: 599-91-7
propyl tosylate

: 103-65-1
Propylbenzene

Conditions

Conditions	Yield
With copper(l) iodide; cyclohexa-1,4-diene; lithium tert-butoxide In N,N-dimethyl-formamide at 60℃; for 12h; Suzuki-Miyauri coupling; Inert atmosphere;	84%

: 599-91-7
propyl tosylate

: 106092-11-9
(R)-4,5,6,7-tetrahydrobenzo[1,2-d]thiazole-2,6-diamine

: 1332723-78-0
(R)-(+)-2-amino-4,5,6,7-tetrahydro-6-(n-propylamino)benzothiazole p-toluenesulfonic acid

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In water; acetonitrile at 20 - 80℃; Solvent; Inert atmosphere;	83.9%

: C18H17NO3S

: 599-91-7
propyl tosylate

: 395683-14-4
Imrecoxib

Conditions

Conditions	Yield
Stage #1: C18H17NO3S With sodium amide In toluene for 1h; Reflux; Stage #2: propyl tosylate In toluene at 20 - 100℃; for 12h;	83.6%

: 248590-47-8
25,26,27,28-tetrakis(hydroxy)calix[4]arene

: 599-91-7
propyl tosylate

: 140862-52-8, 140924-91-0, 141902-33-2, 143444-60-4, 147782-22-7
25,26,27,28-tetrapropyloxycalix[4]arene

Conditions

Conditions	Yield
Stage #1: 25,26,27,28-tetrakis(hydroxy)calix[4]arene With caesium carbonate In N,N-dimethyl-formamide at 80℃; for 1h; Stage #2: propyl tosylate In N,N-dimethyl-formamide at 80℃; for 7h;	82%
With caesium carbonate In N,N-dimethyl-formamide at 80℃; for 7h; Yields of byproduct given;
With caesium carbonate In N,N-dimethyl-formamide at 80℃; for 7h; Yield given. Title compound not separated from byproducts;

: 2536-91-6
6-methylbenzothiazol-2-ylamine

: 599-91-7
propyl tosylate

: C11H15N2S(1+)

Conditions

Conditions	Yield
at 120℃; for 3h; Sealed tube;	76.3%

: 1177398-99-0
2-(3,4-dimethoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane

: 599-91-7
propyl tosylate

: 5888-52-8
4-propyl-1,2-dimethoxybenzene

Conditions

Conditions	Yield
With copper(l) iodide; lithium tert-butoxide In N,N-dimethyl-formamide at 60℃; for 12h; Suzuki-Miyauri coupling; Inert atmosphere;	76%

: 123023-78-9, 119838-64-1
ethyl 4'-(1-hydroxyethyl)-4-biphenylcarboxylate

: 599-91-7
propyl tosylate

: 119838-65-2
(+)-ethyl 4'-(1-propoxyethyl)-4-biphenylcarboxylate

Conditions

Conditions	Yield
In N-methyl-acetamide	75%

: (3S,4R)-4-((S)-1-((4-methoxy-benzyl)oxy)ethyl)-7-methyloct-1-en-3-ol

: 599-91-7
propyl tosylate

: 1-methoxy-4-((((2S,3S)-6-methyl-3-((S)-1-propoxyallyl)heptan-2-yl)oxy)methyl)benzene

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran at 20℃; for 72h;	74%
With potassium tert-butylate In tetrahydrofuran at 20℃; for 72h;	74%

: 5720-07-0
4-methoxyphenylboronic acid

: 599-91-7
propyl tosylate

: 1491216-03-5
1-methoxy-4-(propylsulfonyl)benzene

Conditions

Conditions	Yield
Stage #1: 4-methoxyphenylboronic acid With dichloro bis(acetonitrile) palladium(II); potassium pyrosulfite; tetrabutylammomium bromide; tert-butyl XPhos In N,N-dimethyl-formamide for 0.166667h; Inert atmosphere; Stage #2: propyl tosylate In N,N-dimethyl-formamide at 85℃; for 22h; Inert atmosphere; Sealed tube;	74%

: 599-91-7
propyl tosylate

: 150990-01-5
p-tert-butylcalix<4>arene

: 5,11,17,23-tetrakis(1,1-dimethylethyl)-25,27-dihydroxy-26,28-di(1-propoxy)calix[4]arene

Conditions

Conditions	Yield
With potassium carbonate for 40h; Reflux;	71%

: 1304668-85-6
(1R,3S)-[2-(trimethylsilyl)ethyl] 3-amino-1,2,2-trimethylcyclopentanecarboxylate

: 599-91-7
propyl tosylate

: 1304668-88-9
C17H35NO2Si

Conditions

Conditions	Yield
Stage #1: (1R,3S)-[2-(trimethylsilyl)ethyl] 3-amino-1,2,2-trimethylcyclopentanecarboxylate With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: propyl tosylate In N,N-dimethyl-formamide at 20℃; for 24h;	70%

: (S)-10-(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)-9-fluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4] oxazino[2,3,4-ij]quinoline-6-carboxylic acid

: 599-91-7
propyl tosylate

: (S)-10-(4-(1-propyl-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)-9-fluoro-3-methyl-7-oxo-3,5,6,7-tetrahydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid

Conditions

Conditions	Yield
With triethylamine adsorbed alumina In neat (no solvent) at 100℃; for 0.05h; Sealed tube; Microwave irradiation;	69.7%

: 88207-45-8
2-(2'-bromophenyl)-1H-indole

: 599-91-7
propyl tosylate

: 2-(2-bromophenyl)-1-n-propyl-1H-indole

Conditions

Conditions	Yield
Stage #1: 2-(2'-bromophenyl)-1H-indole With potassium hydroxide In N,N-dimethyl-formamide Stage #2: propyl tosylate In N,N-dimethyl-formamide at 20℃; for 24h;	69%

Propyl p-toluenesulfonate Chemical Properties

IUPAC Name: Propyl 4-Methylbenzenesulfonate
Canonical SMILES: CCCOS(=O)(=O)C1=CC=C(C=C1)C
InChI: InChI=1S/C10H14O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey: JTTWNTXHFYNETH-UHFFFAOYSA-N
Molecular Weight: 214.28136 [g/mol]
Molecular Formula: C₁₀H₁₄O₃S
XLogP3: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 3
Rotatable Bond Count: 4
Exact Mass: 214.066365
MonoIsotopic Mass: 214.066365
Topological Polar Surface Area: 43.4
Heavy Atom Count: 14
Complexity: 245
EINECS: 209-978-5
refractive index: 1.5065-1.5085
Index of Refraction: 1.509
Molar Refractivity: 55.82 cm³
Molar Volume: 186.8 cm³
Surface Tension: 37.3 dyne/cm
Density: 1.146 g/cm³
Flash Point: 147.8 °C
Enthalpy of Vaporization: 54.01 kJ/mol
Boiling Point: 320.8 °C at 760 mmHg
Vapour Pressure: 0.000583 mmHg at 25 °C
Appearance of Propyl p-toluenesulfonate (CAS NO.599-91-7): clear light yellow liquid

Propyl p-toluenesulfonate Safety Profile

Hazard Codes: Harmful Xn
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements of Propyl p-toluenesulfonate (CAS NO.599-91-7): 37/39-26
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Propyl p-toluenesulfonate Specification

Propyl p-toluenesulfonate (CAS NO.599-91-7), its Synonyms are Benzenesulfonic acid, 4-methyl-, propyl ester ; Propyl tosylate ; p-Toluenesulfonic acid, propyl ester ; Propyl toluene-4-sulphonate .

Product Name

PROPYL P-TOLUENESULFONATE

Synthetic route

Propyl p-toluenesulfonate Chemical Properties

Propyl p-toluenesulfonate Safety Profile

Propyl p-toluenesulfonate Specification

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