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CAS No.: | 52499-14-6 |
---|---|
Name: | 4-DODECYLBENZENESULFONYL CHLORIDE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C18H29ClO2S |
Molecular Weight: | 344.946 |
Synonyms: | 4-Dodecylbenzenesulfonylchloride;p-Dodecylbenzenesulfonyl chloride; |
EINECS: | 257-966-3 |
Density: | 1.064g/cm3 |
Melting Point: | 33 °C |
Boiling Point: | 427.1 °C at 760 mmHg |
Flash Point: | 212.1 °C |
PSA: | 42.52000 |
LogP: | 7.15830 |
potassium 4-dodecylbenzenesulfonate
p-dodecylbenzenesulfonyl chloride
Conditions | Yield |
---|---|
With trichlorophosphate at 20 - 170℃; | 97% |
para-dodecylbenzenesulfonic acid
p-dodecylbenzenesulfonyl chloride
Conditions | Yield |
---|---|
With pyridine; thionyl chloride at 60℃; for 2h; | |
With trichlorophosphate at 120℃; for 4h; | 51.3 g |
1-dodecylbenzene
p-dodecylbenzenesulfonyl chloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sulfuric acid / 1 h / 90 °C 2: trichlorophosphate / 20 - 170 °C View Scheme |
p-dodecylbenzenesulfonyl chloride
4-dodecyl-benzenesulfonic acid amide
Conditions | Yield |
---|---|
With ammonium hydroxide In chloroform at 20℃; for 2h; | 99% |
Conditions | Yield |
---|---|
With sodium hydroxide; sodium sulfite In water at 70 - 100℃; for 5h; pH=7 - 8; Reagent/catalyst; pH-value; | 97.5% |
p-dodecylbenzenesulfonyl chloride
p-dodecylbenzenethiol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran for 22h; Heating; | 97% |
2-Amino-5-t-butyl-1,3,4-thiadiazole
p-dodecylbenzenesulfonyl chloride
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-dodecylbenzenesulfonamide
Conditions | Yield |
---|---|
With pyridine at 0 - 95℃; | 87% |
With pyridine at 95℃; for 1h; | 86% |
p-dodecylbenzenesulfonyl chloride
(1R,2R)-1,2-bis(3-nitrophenyl)ethane-1,2-diamine
N-[(1R,2R)-2-amino-1,2-bis(3-nitrophenyl)ethyl]-4-dodecylbenzenesulfonamide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 18.5h; | 86% |
5-methyl-1,3,4-thiadiazol-2-amine
p-dodecylbenzenesulfonyl chloride
4-dodecyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Conditions | Yield |
---|---|
With pyridine at 95℃; for 1h; | 84% |
With pyridine at 0 - 95℃; |
p-dodecylbenzenesulfonyl chloride
4-dodecylbenzenesulphonyl azide
Conditions | Yield |
---|---|
With sodium azide In water; acetone at 10 - 30℃; Temperature; Flow reactor; | 82.2% |
With sodium azide In water; acetone at 20℃; for 11h; |
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The Benzenesulfonylchloride, 4-dodecyl-, with CAS registry number 52499-14-6, belongs to the following product category: pharmacetical. It has the systematic name of 4-dodecylbenzenesulfonyl chloride. Besides this, it is also called P-dodecylbenzenesulfonyl chloride. And the chemical formula of this chemical is C18H29ClO2S. What's more, its EINECS is 257-966-3.
Physical properties of Benzenesulfonylchloride, 4-dodecyl-: (1)ACD/LogP: 8.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.29; (4)ACD/LogD (pH 7.4): 8.29; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 772567.75; (8)ACD/KOC (pH 7.4): 772567.75; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 95.96 cm3; (15)Molar Volume: 323.9 cm3; (16)Polarizability: 38.04×10-24cm3; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.064 g/cm3; (19)Flash Point: 212.1 °C; (20)Enthalpy of Vaporization: 65.57 kJ/mol; (21)Boiling Point: 427.1 °C at 760 mmHg; (22)Vapour Pressure: 4.18E-07 mmHg at 25°C.
Uses of Benzenesulfonylchloride, 4-dodecyl-: it can be used to produce 1-(4-dodecyl-benzenesulfonyl)-octahydro-cyclopenta[b]pyrrole-2-carboxylic acid. This reaction will need reagent aq. Na2CO3 and solvent tetrahydrofuran. The reaction time is 15 hour(s). The yield is about 82%.
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c1ccc(cc1)CCCCCCCCCCCC
(2)InChI: InChI=1/C18H29ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3
(3)InChIKey: VLBSKIZWQATQRK-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C18H29ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3
(5)Std. InChIKey: VLBSKIZWQATQRK-UHFFFAOYSA-N