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Mono-6-O-(p-toluenesulfonyl)-beta-cyclodextrin

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Mono-6-O-(p-toluenesulfonyl)-beta-cyclodextrin Basic information

Product Name:
Mono-6-O-(p-toluenesulfonyl)-beta-cyclodextrin
Synonyms:
  • 6A-(4-methylbenzenesulfonate)- -Cyclodextrin
  • Mono-6-O-(p-toluenesulfonyl)-&beta
  • Mono-6-O-(p-toluenesulfonyl)-beta-cyclodextrin
  • Mono-6-O-Tosyl-beta-Cyclodextrin
  • β-Cyclodextrin, 6A-(4-methylbenzenesulfonate)
  • mono-(6-p-toluenesulfonyl)-β-cyclodextrin
  • Mono-(6-p-toluenesulfonyl)-beta-cyclodextrin
  • Mono-6-O-(p-toluenesulfonyl)-b-cyclodextrin
CAS:
67217-55-4
MF:
C49H76O37S
MW:
1289.17
EINECS:
1312995-182-4
Mol File:
67217-55-4.mol
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Mono-6-O-(p-toluenesulfonyl)-beta-cyclodextrin Chemical Properties

Melting point:
179 °C
Density 
1.591±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,2-8°C
solubility 
Soluble in DMF, DMSO. Insoluble in water, methanol, chloroform.
form 
Solid powder or crystals
pka
12.47±0.70(Predicted)
color 
White
InChI
InChI=1/C49H76O37S/c1-13-2-4-14(5-3-13)87(70,71)72-12-21-42-28(62)35(69)49(79-21)85-41-20(11-55)77-47(33(67)26(41)60)83-39-18(9-53)75-45(31(65)24(39)58)81-37-16(7-51)73-43(29(63)22(37)56)80-36-15(6-50)74-44(30(64)23(36)57)82-38-17(8-52)76-46(32(66)25(38)59)84-40-19(10-54)78-48(86-42)34(68)27(40)61/h2-5,15-69H,6-12H2,1H3/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/s3
InChIKey
URYLJCBFCXEADB-UVTLCHRDNA-N
SMILES
S(=O)(=O)(C1C=CC(C)=CC=1)OC[C@H]1O[C@@]2([H])[C@@H]([C@@H](O)[C@]1([H])O[C@@]1([H])O[C@H](CO)[C@@]([C@H](O)[C@H]1O)([H])O[C@@]1([H])O[C@H](CO)[C@@]([C@H](O)[C@H]1O)([H])O[C@@]1([H])O[C@H](CO)[C@@]([H])(O[C@@]3([C@H](O)[C@@H](O)[C@@]([H])([C@@H](CO)O3)O[C@@]3([C@H](O)[C@@H](O)[C@@]([H])([C@@H](CO)O3)O[C@@]3([C@H](O)[C@@H](O)[C@@]([H])([C@@H](CO)O3)O2)[H])[H])[H])[C@H](O)[C@H]1O)O |&1:12,14,16,17,19,22,25,28,29,31,35,38,41,42,44,48,51,54,57,58,60,62,64,69,70,72,74,76,81,82,84,86,88,96,98,r|
CAS DataBase Reference
67217-55-4
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Safety Information

HS Code 
9999999999
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Mono-6-O-(p-toluenesulfonyl)-beta-cyclodextrin Usage And Synthesis

Uses

Mono(6-O-p-tolylsulfonyl)-β-cyclodextrin (CAS# 67217-55-4) is carbohydrate used in the preparation of electroactive polyaniline/silica hybrid sol-gels. Recently, mono(6-O-p-tolylsulfonyl)-β-cyclodextrin has been proposed for use as a catalyst for atmospheric CO2 fixation by conversion to cuclic carbonate.

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