Isopropyl toluene-4-sulphonate supplier

Name
ISOPROPYL P-TOLUENESULFONATE
EINECS 218-989-4
CAS No. 2307-69-9
Article Data38
CAS DataBase
Density 1.163 g/cm³
Solubility
Melting Point 20 °C
Formula C₁₀H₁₄O₃S
Boiling Point 314.1 °C at 760 mmHg
Molecular Weight 214.285
Flash Point 143.7 °C
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-methyl-4-propan-2-ylsulfonyloxy-benzene;Isopropyl p-Toluenesulfonate;
PSA 51.75000
LogP 3.18950

Synthetic route

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

: 143885-03-4
isopropyloxy(diphenyl)-λ6-sulfanenitrile

A: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

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

Conditions

Conditions	Yield
In chloroform-d1 at 20℃; for 0.25h;	A 99% B n/a

...Expand

: 98-59-9
p-toluenesulfonyl chloride

: 67-63-0
isopropyl alcohol

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

Conditions

Conditions	Yield
With pyridine at 0℃; for 3h;	94%
With potassium hydroxide; potassium carbonate for 0.05h;	90%
With pyridine at 0 - 20℃;	85%

: 75-30-9
2-iodo-propane

: 27126-76-7
[hydroxy(tosyloxy)iodo]benzene

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

Conditions

Conditions	Yield
In chloroform at 25℃; for 1h; further solvent;	90%

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

: 67-63-0
isopropyl alcohol

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

Conditions

Conditions	Yield
With (fluoro)diphenyl-η6-sulfanenitrile; sodium at 20℃; for 0.333333h;	88%
Fe(3+)-exchanged montmorillonite clay In 1,2-dichloro-ethane at 80℃; for 5h;	75%
at 70℃;

: 4124-41-8
p-toluenesulfonylanhydride

: 67-63-0
isopropyl alcohol

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

Conditions

Conditions	Yield
With ytterbium(III) triflate In dichloromethane at 20℃; for 24h;	87%

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

: 7237-16-3
diisopropyl phenylphosphonate

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

Conditions

Conditions	Yield
In 1,2-dichloro-ethane at 40℃; for 48h;	82%

: 513-02-0
triisopropyl phosphate

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

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

Conditions

Conditions	Yield
In 1,2-dichloro-ethane at 40℃; for 72h; Product distribution; investigate effect of molar ratio, solvent, temperature and reaction time;	77%
In 1,2-dichloro-ethane at 40℃; for 72h;	77%

: 1825-64-5
isopropoxytrimethylsilane

: 98-59-9
p-toluenesulfonyl chloride

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

Conditions

Conditions	Yield
With FeCl3-Montmorillonite K-10 In acetonitrile for 9h; Heating;	77%

: 824-79-3
sodium 4-methylbenzenesulfinate

: 67-63-0
isopropyl alcohol

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene at 20℃; for 0.25h;	74%

: 116-17-6
triisopropyl phosphite

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

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

Conditions

Conditions	Yield
In 1,2-dichloro-ethane for 72h; Product distribution; Ambient temperature; investigate effect of reaction time;	71%
In 1,2-dichloro-ethane for 72h; Ambient temperature;	71%

: 1927-70-4
2-isopropoxytetrahydropyran

: 98-59-9
p-toluenesulfonyl chloride

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

Conditions

Conditions	Yield
With FeCl3-Montmorillonite K-10 In acetonitrile for 10h; Heating;	70%

: 116-17-6
triisopropyl phosphite

: 92473-47-7
(3,3-dimethylbutynyl)(phenyl)iodonium tosylate

A: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

B: 125172-82-9
Diisopropyl (tert-butylethynyl)phosphonate

Conditions

Conditions	Yield
at 95℃; for 1.5h;	A n/a B 58%

...Expand

: 2736-99-4
diethyl 2-propyl phosphate

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

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

Conditions

Conditions	Yield
at 40℃;	49%

: 459-44-9
4-methylbenzenediazonium tetrafluoroborate

: 67-63-0
isopropyl alcohol

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

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;	43%

: 108-20-3
di-isopropyl ether

: 26908-82-7
acetyl p-toluenesulfonate

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: 75-30-9
2-iodo-propane

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

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

Conditions

Conditions	Yield
With silver(l) oxide 1) acetonitrile; 2) acetonitrile, RT, 24 h; Yield given. Multistep reaction;

: 108-88-3
toluene

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

Conditions

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

: 29959-86-2
1-(phenylsulphenyl)piperidylamide

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

: 67-63-0
isopropyl alcohol

A: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

B: 1523523-71-8
1-(S-phenylsulfonimidoyl)piperidine

Conditions

Conditions	Yield
With ammonium carbamate; iodosylbenzene at 25℃; for 1h; Inert atmosphere;

...Expand

9,10-dihydrolysergic acid: 9,10-dihydrolysergic acid

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: 1-(1-methylethyl)-6-methylergoline-8-carboxylic acid

Conditions

Conditions	Yield
In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; dimethyl sulfoxide; ethyl acetate	98.8%
In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; dimethyl sulfoxide; ethyl acetate	98.8%

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: 4559-70-0
Diphenylphosphine oxide

: 2959-75-3
isopropyl-diphenyl-phosphine oxide

Conditions

Conditions	Yield
With sodium bis(2-methoxyethoxy)aluminium dihydride In tetrahydrofuran at 65℃; for 10h;	94%

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: 87982-60-3, 87219-71-4, 87248-69-9
triisopropylheptaphosphine

Conditions

Conditions	Yield
With trisodium heptaphosphide In tetrahydrofuran at -70 - 20℃; for 4h;	94%

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

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

: 1143505-98-9
i-propyl ent-15α-hydroxymethyl-16β-hydroxybeyeran-19-oate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile	92%

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: 26687-82-1, 81446-30-2, 84413-77-4, 87678-74-8, 87678-75-9, 144901-91-7, 7770-78-7
Arctigenin

: 1443128-07-1
C24H30O6

Conditions

Conditions	Yield
With potassium carbonate In acetone at 20℃; for 3h;	88%

: 49762-08-5
3-hydroxy-4-methylthiazole-2(3H)-thione

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: N-isopropoxy-4-methylthiazole-2(3H)thione

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate In acetonitrile at 20℃; for 24h;	85%

: C5H6NOS2(1-)*C16H36N(1+)

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: 1092776-00-5
N-isopropoxy-4,5-dimethylthiazole-2(3H)-thione

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20℃; for 12h;	82%

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: 150403-78-4
4-{[2-(cyclohexylcarbamoyl)ethyl]methylamino}-1,3,4,5-tetrahydrobenz(cd)indole

: 4-<<2-(cyclohexylcarbamoyl)ethyl>methylamino>-1-isopropyl-1,3,4,5-tetrahydrobenzindole

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide for 2h;	78%

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: potassium triisopropylsilane-thiolate

: triisopropyl(isopropylthio)silane

Conditions

Conditions	Yield
In tetrahydrofuran 1.) -78 deg C up to RT; 2.) RT, 4 h;	75%

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: sodium diisopropylheptaphosphide

Conditions

Conditions	Yield
With trisodium heptaphosphide In tetrahydrofuran at -70 - 20℃; for 4h;	74%

: 292638-84-7
styrene

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: 90499-41-5
2-phenyl-3-methylbutanol

Conditions

Conditions	Yield
Stage #1: styrene; toluene-4-sulfonic acid isopropyl ester With 2-cyclohexylethylmagnesium bromide; zirconocene dichloride In tetrahydrofuran at 55℃; for 12h; Stage #2: With oxygen In tetrahydrofuran at 0℃; Further stages.;	73%

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: N-(hydroxy)-5-(p-methoxyphenyl)-4-(methyl)thiazole-2(3H)-thione tetraethylammonium salt

: 902757-39-5
N-(isopropoxy)-5-(p-methoxyphenyl)-4-methylthiazole-2(3H)-thione

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20℃;	73%

: 3-hydroxy-5-(p-methoxyphenyl)-4-methylthiazole-2(3H)-thione tetrabutylammonium salt

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: 902757-39-5
N-(isopropoxy)-5-(p-methoxyphenyl)-4-methylthiazole-2(3H)-thione

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20℃; for 12h;	73%
In N,N-dimethyl-formamide at 20℃; Darkness;

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: (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

: (S)-10-(4-(1-isopropyl-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;	72.6%

: 10490-06-9
glyoxalic acid ethylthioacetal

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: 71535-45-0
2,2-bis(ethylthio)-3-methylbutanoic acid

Conditions

Conditions	Yield
With oxonium; potassium hexamethylsilazane In tetrahydrofuran at 25℃; for 2.5h; Product distribution; reactant;	72%
(i) HN(SiMe3)2, KH, THF, (ii) /BRN= 1876576/, (iii) aq. HCl; Multistep reaction;
With hydrogenchloride; potassium hydride; 1,1,1,3,3,3-hexamethyl-disilazane 1.) THF, 0 deg C, 15 min; THF, 25 deg C, 2.5 h.; Yield given. Multistep reaction;

: 254-04-6
2H-chromene

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: 2-(1-(1-methylethyl)prop-2-enyl)-phenol

Conditions

Conditions	Yield
With zirconocene dichloride; butyl magnesium bromide In tetrahydrofuran at 55℃; for 12h; Alkylation;	71%

: C10H7ClNOS2(1-)*C16H36N(1+)

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: 1092776-06-1
N-isopropoxy-5-(4-chlorophenyl)-4-methylthiazole-2(3H)-thione

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20℃; for 12h;	71%

: tributyl methyl ammonium salt of trimethyl methylenebisphosphonate

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: 133918-73-7
dimethyl {[isopropoxy(methoxy)phosphoryl]methyl}phosphonate

Conditions

Conditions	Yield
In acetonitrile Reflux;	71%

: 2307-69-9
toluene-4-sulfonic acid isopropyl ester

: 220222-19-5
N-hydroxy-4-(p-methylphenyl)thiazole-2(3H)-thione

: 220222-34-4
3-Isopropoxy-4-p-tolyl-3H-thiazole-2-thione

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate In acetonitrile at 20℃; for 36h;	70%

Isopropyl toluene-4-sulphonate Specification

The Isopropyl toluene-4-sulphonate, with the CAS registry number 2307-69-9, is also known as Isopropyl 4-methylbenzenesulfonate. Its EINECS registry number is 218-989-4. This chemical's molecular formula is C₁₀H₁₄O₃S and molecular weight is 214.2814. Its systematic name is called propan-2-yl 4-methylbenzenesulfonate. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Isopropyl toluene-4-sulphonate: (1)ACD/LogP: 2.164; (2)ACD/LogD (pH 5.5): 2.16; (3)ACD/LogD (pH 7.4): 2.16; (4)ACD/BCF (pH 5.5): 25.96; (5)ACD/BCF (pH 7.4): 25.96; (6)ACD/KOC (pH 5.5): 358.10; (7)ACD/KOC (pH 7.4): 358.10; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.508 ; (11)Molar Refractivity: 55.8 cm³; (12)Molar Volume: 187.239 cm³; (13)Polarizability: 22.121 10-24cm³; (14)Surface Tension: 36.443000793457 dyne/cm; (15)Density: 1.144 g/cm³; (16)Flash Point: 143.739 °C; (17)Enthalpy of Vaporization: 53.307 kJ/mol; (18)Boiling Point: 314.061 °C at 760 mmHg; (19)Vapour Pressure: 0.00100000004749745 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(OC(C)C)c1ccc(cc1)C
(2)InChI: InChI=1/C10H14O3S/c1-8(2)13-14(11,12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
(3)InChIKey: SDQCGKJCBWXRMK-UHFFFAOYAW

Product Name

ISOPROPYL P-TOLUENESULFONATE

Synthetic route

Isopropyl toluene-4-sulphonate Specification

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