98.0%(T)| A1456237|Formula:C6H13NaO3S|Molecular Weight:188.220450000+ products instock " />

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Chemical Structure| 2832-45-3 Chemical Structure| 2832-45-3
Chemical Structure| 2832-45-3

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CAS No.: 2832-45-3

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Product Details of Sodium hexane-1-sulfonate

CAS No. :2832-45-3
Formula : C6H13NaO3S
M.W : 188.22
SMILES Code : CCCCCCS(=O)([O-])=O.[Na+]
MDL No. :MFCD00007542
InChI Key :QWSZRRAAFHGKCH-UHFFFAOYSA-M
Pubchem ID :23677630

Safety of Sodium hexane-1-sulfonate

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501

Application In Synthesis of Sodium hexane-1-sulfonate

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 2832-45-3 ]

[ 2832-45-3 ] Synthesis Path-Downstream   1~32

  • 1
  • [ 2832-45-3 ]
  • C48H80O40*C20H15O2(1-)*Na(1+) [ No CAS ]
  • C48H80O40*C20H15O2(1-)*C6H13O3S(1-)*2Na(1+) [ No CAS ]
  • 2
  • [ 83633-60-7 ]
  • [ 2832-45-3 ]
  • 3
  • C48H80O40*C6H13O3S(1-)*Na(1+) [ No CAS ]
  • [ 2832-45-3 ]
  • [ 17465-86-0 ]
  • 4
  • C48H80O40*C20H15O2(1-)*C6H13O3S(1-)*2Na(1+) [ No CAS ]
  • [ 2832-45-3 ]
  • C48H80O40*C20H15O2(1-)*Na(1+) [ No CAS ]
  • 5
  • [ 2832-45-3 ]
  • [ 17465-86-0 ]
  • C48H80O40*C6H13O3S(1-)*Na(1+) [ No CAS ]
  • 9
  • [ 50-01-1 ]
  • [ 2832-45-3 ]
  • hexane-1-sulfonic acid; compound with guanidine [ No CAS ]
  • 10
  • [ 2832-45-3 ]
  • hexane-1-sulfonic acid (2-oxo-tetrahydro-furan-3-yl)-amide [ No CAS ]
  • 12
  • [ 2832-45-3 ]
  • hexanesulfonyl fluoride [ No CAS ]
  • 13
  • [ 2832-45-3 ]
  • hexane-1-sulfonic acid 2,5-dioxo-pyrrolidin-1-yl ester [ No CAS ]
  • 15
  • [ 83633-58-3 ]
  • [ 2832-45-3 ]
  • 16
  • [ 83633-56-1 ]
  • [ 2832-45-3 ]
  • 17
  • [ 83633-52-7 ]
  • [ 2832-45-3 ]
  • 18
  • [ 83633-54-9 ]
  • [ 2832-45-3 ]
  • 19
  • trihydroxonitratodicopper(II) [ No CAS ]
  • [ 2832-45-3 ]
  • 2Cu(2+)*3OH(1-)*C6H13SO3(1-)=Cu2(OH)3(C6H13SO3) [ No CAS ]
  • 20
  • [ 2832-45-3 ]
  • [ 74844-91-0 ]
  • [ 960508-09-2 ]
YieldReaction ConditionsOperation in experiment
In acetonitrile; at 60 - 65℃; for 7h; Sodium hexanesulfonate (2.96 g) was suspended in acetonitrile (18 g) under a nitrogen atmosphere, and DFI (2. 14 g) was added dropwise thereto at a temperature in a range of 20 to 30C. The reaction solution was stirred at 20 to 30C for 3 hours to obtain a solution of FMSI in acetonitrile. Subsequently, trans-N-tert-butoxycarbonyl-4-hydroxy-L-proline methylester (2.57 g) was added to the solution, and the mixture was stirred at 60 to 65C for 7 hours. The reaction solution was added dropwise to a solution obtained separately by suspending sodium hydrogen carbonate (3. 30 g) in water (33 g). The mixture was then extracted with toluene (50 g), washed with water (33 g), and subsequently, the obtained toluene layer was dried over anhydrous magnesium sulfate. Anhydrous magnesium sulfate was separated by filtration, and the toluene solution was concentrated under reduced pressure. The obtained residue was purified by silica gel column chromatography (silica gel 60 g, hexane: ethyl acetate=5:1?4:1?3:1) to obtain a target compound (cis-HSBPM) as a colorless clear syrup. The retention time of 1H-NMR and HPLC was consistent with that of the cis-HSBPM obtained in Reference Example 5. Amount 3.31 g Yield 80% 1H-NMR (CD3CN, 400 MHz) delta 5.23 (bs, 1H), 4.51,4.40 (2bt, 1H, J=5.0 Hz), 3.78-3.74 (m, 2H), 3.75 (s, 3H), 3.07 (bt, 2H J=7.8 Hz), 2.54 (bs, 1H), 2.49 (bs, 1H), 1.85-1.78 (m, 2H), 1.50-1.40 (m, 2H), 1.48,1.43 (2s, 9H), 1.35-1.30 (m, 4H), 0.90 (t, 3H, J=6.9 Hz) The stereoselectivity in the reaction was determined by analysis of the reaction solution, and using the peak area ratio of cis-HSBPM and (2S,4R)-N-tert-butoxycarbonyl-4-hexanesulfonyloxypyrrolidine-2-c arboxylic acid methylester (hereinafter abbreviated as trans-HSBPM). cis-HSBPM:trans-HSBPM=99.4:0.6 HPLC analysis condition-3 Column used YMC-PACK ODS AM-312 Eluent CH3CN/10 mM NaH2PO4=60/40 Column temperature 40C Flow rate 1 ml/min Detection wavelength 210 nm
  • 21
  • [ 2832-45-3 ]
  • [ 220405-40-3 ]
  • [ 960508-14-9 ]
YieldReaction ConditionsOperation in experiment
100% In acetonitrile; at 20 - 30℃; for 3h;Product distribution / selectivity; Sodium hexanesulfonate (2.96 g) was suspended in acetonitrile (18 g) under a nitrogen atmosphere, and DFI (2.14 g) was added dropwise thereto at a temperature in a range of 20 to 30C. The reaction solution was stirred at 20 to 30C for 3 hours to obtain a solution of a target compound (FHSI) in acetonitrile. Yield = Quantitative; Sodium hexanesulfonate (2.96 g) was suspended in acetonitrile (18 g) under a nitrogen atmosphere, and DFI (2. 14 g) was added dropwise thereto at a temperature in a range of 20 to 30C. The reaction solution was stirred at 20 to 30C for 3 hours to obtain a solution of FMSI in acetonitrile.; p-Sodium hexanesulfonate (2.61 g) was suspended in acetonitrile (14 g) under a nitrogen atmosphere, and DFI (1.89 g) was added dropwise thereto at a temperature in a range of 20 to 30C. The reaction solution was stirred at 20 to 30 C for 3 hours to obtain a solution of FHSI in acetonitrile
In [D3]acetonitrile; at 20 - 30℃; for 3h;Product distribution / selectivity; For analysis of the above-described reaction, a reaction was carried out in a deuterated acetonitrile solvent, and analysis was carried out by means of NMR. Sodium hexanesulfonate (105 mg) was suspended in deuterated acetonitrile (2 g) under a nitrogen atmosphere, and DFI (76 mg) was added dropwise thereto at a temperature in a range of 20 to 30C. The reaction solution was stirred at 20 to 30C for 3 hours to obtain a solution of a target compound (FHSI) in deuterated acetonitrile. From analysis by means of NMR, a peak derived from the DFI as a raw material disappeared completely, and a new peak derived from the target compound was observed. 1H-NMR (CD3CN, 400 MHz) delta 3.85 (d, 4H, J=2.4 Hz), 2.96 (s, 6H), 2.57-2.52 (m, 2H), 1.67-1.57 (m, 2H), 1.35-1.25 (m, 6H), 0.84 (t, 3H, J=7.6 Hz) 13C-NMR (CD3CN, 100 MHz) delta 159 (d, J=279 Hz), 47, 7, 32.2, 29.2, 26.0, 23.1, 14.2
  • 22
  • gadolinium hydroxynitrate hydrate [ No CAS ]
  • [ 7732-18-5 ]
  • [ 2832-45-3 ]
  • gadolinium hydroxy(hexanesulfonate) sesquihydrate [ No CAS ]
  • 23
  • [ 2832-45-3 ]
  • [ 65039-09-0 ]
  • [ 1198278-22-6 ]
  • 24
  • 2-phenyl-9-tetradecylbenzo[8,9]quinolizino[4,5,6,7-fed]phenanthridinylium chloride [ No CAS ]
  • [ 2832-45-3 ]
  • [ 1293990-64-3 ]
  • 25
  • 6NO3(1-)*H2O*4HO(1-)*4O(2-)*6Bi(3+) [ No CAS ]
  • [ 2832-45-3 ]
  • [ 67-68-5 ]
  • 45O(2-)*10NO3(1-)*38Bi(3+)*28C2H6OS*14C6H13O3S(1-) [ No CAS ]
  • 26
  • aluminum(III) nitrate nonahydrate [ No CAS ]
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 2832-45-3 ]
  • [ 1310-73-2 ]
  • [Zn4Al2(OH)12][(1-hexanesulfonate)1.57(CO3)0.215(H2O)5] [ No CAS ]
  • 27
  • [ 860-22-0 ]
  • aluminum(III) nitrate nonahydrate [ No CAS ]
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 2832-45-3 ]
  • [ 1310-73-2 ]
  • [Zn4Al2(OH)12][(1-hexanesulfonate)1.48(C16H8N2O8S2)0.06(CO3)0.2(H2O)4.5] [ No CAS ]
  • 28
  • [ 860-22-0 ]
  • aluminum(III) nitrate nonahydrate [ No CAS ]
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 2832-45-3 ]
  • [ 1310-73-2 ]
  • [Zn4Al2(OH)12][(1-hexanesulfonate)1.54(C16H8N2O8S2)0.035(CO3)0.195(H2O)5] [ No CAS ]
  • 29
  • [ 860-22-0 ]
  • aluminum(III) nitrate nonahydrate [ No CAS ]
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 2832-45-3 ]
  • [ 1310-73-2 ]
  • [Zn4Al2(OH)12][(1-hexanesulfonate)1.56(C16H8N2O8S2)0.017(CO3)0.203(H2O)5] [ No CAS ]
  • 30
  • [ 860-22-0 ]
  • aluminum(III) nitrate nonahydrate [ No CAS ]
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 2832-45-3 ]
  • [ 1310-73-2 ]
  • [Zn4Al2(OH)12][(1-hexanesulfonate)1.56(C16H8N2O8S2)0.01(CO3)0.21(H2O)5] [ No CAS ]
  • 31
  • C69H102N6O6(6+)*6Br(1-) [ No CAS ]
  • [ 2832-45-3 ]
  • C69H102N6O6(6+)*6Br(1-)*C6H13O3S(1-)*Na(1+) [ No CAS ]
  • 32
  • [ 1357466-07-9 ]
  • [ 2832-45-3 ]
  • [4-(4-biphenylylthio)phenyl](4-biphenylyl)phenylsulfonium hexanesulfonate [ No CAS ]
YieldReaction ConditionsOperation in experiment
General procedure: 5.0 parts of [4- (4-biphenylylthio) phenyl] -4-biphenylylphenylsulfonium hexafluorophosphate [intermediate (2)] obtained in Production Example 2 was dissolved in 36 parts of chloroform.After cooling to 0 C., 4.0 parts of aluminum chloride was charged and stirred. One hour later, the reaction mixture was added to 40 parts of water, stirred for 30 minutes, and left standing to remove an aqueous layer. The organic layer was washed 5 times with stirring and washed with water, 25.1 parts of a 5% aqueous solution of sodium salicylate was added, the mixture was stirred for 1 hour, and after standing still, the aqueous layer was removed. The organic layer was washed with stirring five times with water, and then the solvent was distilled off with an evaporator to obtain a brown viscous substance. Subsequently, the solvent was washed with tert-butyl methyl ether to obtain 4.4 parts of the title compound (4). The product was identified by 1H-NMR.
 

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