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CAS No.: | 2307-69-9 |
---|---|
Name: | ISOPROPYL P-TOLUENESULFONATE |
Article Data: | 38 |
Molecular Structure: | |
Formula: | C10H14O3S |
Molecular Weight: | 214.285 |
Synonyms: | 1-methyl-4-propan-2-ylsulfonyloxy-benzene;Isopropyl p-Toluenesulfonate; |
EINECS: | 218-989-4 |
Density: | 1.163 g/cm3 |
Melting Point: | 20 °C |
Boiling Point: | 314.1 °C at 760 mmHg |
Flash Point: | 143.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26 |
PSA: | 51.75000 |
LogP: | 3.18950 |
toluene-4-sulfonic acid
isopropyloxy(diphenyl)-λ6-sulfanenitrile
A
toluene-4-sulfonic acid isopropyl ester
B
S,S-diphenylsulphoximine
Conditions | Yield |
---|---|
In chloroform-d1 at 20℃; for 0.25h; | A 99% B n/a |
p-toluenesulfonyl chloride
isopropyl alcohol
toluene-4-sulfonic acid isopropyl ester
Conditions | Yield |
---|---|
With pyridine at 0℃; for 3h; | 94% |
With potassium hydroxide; potassium carbonate for 0.05h; | 90% |
With pyridine at 0 - 20℃; | 85% |
2-iodo-propane
[hydroxy(tosyloxy)iodo]benzene
toluene-4-sulfonic acid isopropyl ester
Conditions | Yield |
---|---|
In chloroform at 25℃; for 1h; further solvent; | 90% |
toluene-4-sulfonic acid
isopropyl alcohol
toluene-4-sulfonic acid isopropyl ester
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℃; |
p-toluenesulfonylanhydride
isopropyl alcohol
toluene-4-sulfonic acid isopropyl ester
Conditions | Yield |
---|---|
With ytterbium(III) triflate In dichloromethane at 20℃; for 24h; | 87% |
toluene-4-sulfonic acid
diisopropyl phenylphosphonate
toluene-4-sulfonic acid isopropyl ester
Conditions | Yield |
---|---|
In 1,2-dichloro-ethane at 40℃; for 48h; | 82% |
triisopropyl phosphate
toluene-4-sulfonic acid
toluene-4-sulfonic acid isopropyl ester
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% |
isopropoxytrimethylsilane
p-toluenesulfonyl chloride
toluene-4-sulfonic acid isopropyl ester
Conditions | Yield |
---|---|
With FeCl3-Montmorillonite K-10 In acetonitrile for 9h; Heating; | 77% |
sodium 4-methylbenzenesulfinate
isopropyl alcohol
toluene-4-sulfonic acid isopropyl ester
Conditions | Yield |
---|---|
With [bis(acetoxy)iodo]benzene at 20℃; for 0.25h; | 74% |
triisopropyl phosphite
toluene-4-sulfonic acid
toluene-4-sulfonic acid isopropyl ester
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% |
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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