Benzenesulfonylchloride, 4-dodecyl- supplier

Name
4-DODECYLBENZENESULFONYL CHLORIDE
EINECS 257-966-3
CAS No. 52499-14-6
Article Data6
CAS DataBase
Density 1.064g/cm³
Solubility
Melting Point 33 °C
Formula C₁₈H₂₉ClO₂S
Boiling Point 427.1 °C at 760 mmHg
Molecular Weight 344.946
Flash Point 212.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Dodecylbenzenesulfonylchloride;p-Dodecylbenzenesulfonyl chloride;
PSA 42.52000
LogP 7.15830

Synthetic route

: 14564-74-0
potassium 4-dodecylbenzenesulfonate

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

Conditions

Conditions	Yield
With trichlorophosphate at 20 - 170℃;	97%

: 121-65-3
para-dodecylbenzenesulfonic acid

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

Conditions

Conditions	Yield
With pyridine; thionyl chloride at 60℃; for 2h;
With trichlorophosphate at 120℃; for 4h;	51.3 g

: 123-01-3
1-dodecylbenzene

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sulfuric acid / 1 h / 90 °C 2: trichlorophosphate / 20 - 170 °C View Scheme

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 34778-78-4
4-dodecyl-benzenesulfonic acid amide

Conditions

Conditions	Yield
With ammonium hydroxide In chloroform at 20℃; for 2h;	99%

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 7646-85-7
zinc(II) chloride

: zinc p-dodecylbenzenesulfinate

Conditions

Conditions	Yield
With sodium hydroxide; sodium sulfite In water at 70 - 100℃; for 5h; pH=7 - 8; Reagent/catalyst; pH-value;	97.5%

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 20025-90-5
p-dodecylbenzenethiol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran for 22h; Heating;	97%

: 39222-73-6
2-Amino-5-t-butyl-1,3,4-thiadiazole

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 1191951-60-6
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-dodecylbenzenesulfonamide

Conditions

Conditions	Yield
With pyridine at 0 - 95℃;	87%
With pyridine at 95℃; for 1h;	86%

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 1252644-48-6
(1R,2R)-1,2-bis(3-nitrophenyl)ethane-1,2-diamine

: 1408001-54-6
N-[(1R,2R)-2-amino-1,2-bis(3-nitrophenyl)ethyl]-4-dodecylbenzenesulfonamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 18.5h;	86%

: 108-33-8
5-methyl-1,3,4-thiadiazol-2-amine

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 1191951-58-2
4-dodecyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

Conditions

Conditions	Yield
With pyridine at 95℃; for 1h;	84%
With pyridine at 0 - 95℃;

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 79791-38-1
4-dodecylbenzenesulphonyl azide

Conditions

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;

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 87269-86-1
(S,S,S)-2-azabicyclo<3.3.0>octane-3-carboxylic acid hydrochloride

: (2S,3aS,6aS)-1-(4-Dodecyl-benzenesulfonyl)-octahydro-cyclopenta[b]pyrrole-2-carboxylic acid

Conditions

Conditions	Yield
With sodium carbonate In tetrahydrofuran for 15h;	82%

: (±)-trans-1,2-diaminocyclohexane

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: C24H42N2O2S

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 20℃; Cooling with ice;	82%

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 95-54-5
1,2-diamino-benzene

: N-(2-aminophenyl)-4-dodecyl-benzenesulfonamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 3h;	81%

: 64837-53-2
ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 1191951-63-9
ethyl 5-(4-dodecylphenylsulfonamido)-1,3,4-thiadiazole-2-carboxylate

Conditions

Conditions	Yield
With pyridine at 20 - 95℃; for 48.25h;	78%
With pyridine at 20℃; for 4.5h;	34%

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 4-dodecylbenzenesulfonyl fluoride

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran; dichloromethane at 0 - 25℃; for 1h;	73%

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 62-53-3
aniline

: 111370-45-7
p-dodecyl-N-phenylbenzenesulfonamide

Conditions

Conditions	Yield
With pyridine at 20℃; for 3h;	68%

: 87-89-8
D-myo-inositol

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: DL-1-O-p-dodecylbenzenesulfonyl-myo-inositol

B: 1448044-01-6
C42H68O10S2

Conditions

Conditions	Yield
Stage #1: D-myo-inositol; p-dodecylbenzenesulfonyl chloride With triethylamine; lithium chloride In N,N-dimethyl acetamide at 20℃; Stage #2: With pyridine; chloro-trimethyl-silane In methanol; N,N-dimethyl acetamide at 20℃; for 3h; Stage #3: With trifluoroacetic acid In methanol; chloroform at 20℃; for 2h;	A 66% B 16%

...Expand

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 56951-58-7
2-amino-5-hydroxymethyl-1,3,4-thiadiazole

: 1191951-64-0
4-dodecyl-N-(5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide

Conditions

Conditions	Yield
With pyridine at 20 - 95℃; for 48.25h;	65%
at 20℃; for 4.5h;	65%

: 14949-00-9
5-amino-1, 3, 4-thiadiazole-2-sulfonamide

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 1191951-78-6
5-(4-dodecylphenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 20℃; for 48h;	63%
With triethylamine In acetonitrile at 0 - 20℃;	39%

: 14068-53-2
2-amino-5-ethyl-1,3,4-thiadiazole

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 1191951-59-3
4-dodecyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

Conditions

Conditions	Yield
With pyridine at 95℃; for 1h;	59%
With pyridine at 0 - 95℃;	59%

: 589-18-4
4-Methylbenzyl alcohol

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: N-(4-methylbenzyl)-N,N-dimethylanilinium 4-dodecylbenzenesulfonate

Conditions

Conditions	Yield
In 1,4-dioxane; N,N-dimethyl-aniline	53%

: 88124-55-4
2-Amino-1,3,4-thiadiazolyl-5-acetic acid ethyl ester

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 1191951-62-8
ethyl 2-(5-(4-dodecylphenylsulfonamido)-1,3,4-thiadiazol-2-yl)acetate

Conditions

Conditions	Yield
With pyridine at 20 - 95℃; for 48.25h;	53%
With pyridine at 20℃; for 4.5h;	43%

: 4005-51-0
[1,3,4]Thiadiazol-2-ylamin

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 1191951-57-1
ARC-183

Conditions

Conditions	Yield
With pyridine	51%
With pyridine at 0 - 95℃;

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 171754-03-3
(1S,3R,4R)-2-aza-bicyclo-[2.2.1]-heptane-3-carboxylic acid

: (1S,3R,4R)-2-(4-Dodecyl-benzenesulfonyl)-2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid

Conditions

Conditions	Yield
With sodium carbonate In tetrahydrofuran at 25℃; for 72h;	46%

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: decafluoro-4-pentacosafluorododecyl-cyclohexanesulfonyl fluoride

Conditions

Conditions	Yield
With hydrogen fluoride Electrolysis;

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 243670-27-1
C20H28N2O4

: C56H84N2O8S2

Conditions

Conditions	Yield
With potassium carbonate Acylation;

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: 4-dodecylphenyl 2,3,4,6-tetra-O-acetyl-1-thio-D-glucopyranoside

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 97 percent / LiAlH4 / tetrahydrofuran / 22 h / Heating 2: BF3*Et2O / CH2Cl2 View Scheme

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: C52H76N2O8S2

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: K2CO3 2: LiOH / tetrahydrofuran; H2O; ethanol View Scheme

: 888214-02-6
C26H35F2N2O8P

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: C44H63F2N2O10PS

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran; water

: α-hydroxyimino-3,4-dimethoxybenzyl cyanide

: 52499-14-6
p-dodecylbenzenesulfonyl chloride

: α-(4-dodecylphenylsulfonyloxyimino)-3,4-dimethoxybenzyl cyanide

Conditions

Conditions	Yield
In tetrahydrofuran; ethyl acetate; triethylamine

Benzenesulfonylchloride, 4-dodecyl- Specification

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

Product Name

4-DODECYLBENZENESULFONYL CHLORIDE

Synthetic route

Benzenesulfonylchloride, 4-dodecyl- Specification

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