Mono-6-Azi­do-6-deoxy-beta-Cyclodex­trin CAS 98169-85-8

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Iden­ti­fi­ca­tion

CAS Number

98169-85-8

Name

Mono-6-Azi­­do-6-deoxy-beta-Cyclodex­trin

Syn­onyms

(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5-(Azidomethyl)-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7, ;9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (non-pre­­ferred name ) [Ger­man] [ACD/IUPAC Name]
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5-(Azidomethyl)-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7, ;9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (non-pre­­ferred nam e) [ACD/IUPAC Name]
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5-(Azidométhyl)-10,15,20,25,30,35-hexakis(hydroxyméthyl)-2,4,7, ;9,12,14,17,19,22,24,27,29,32,34-tétradécaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatétracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tétradécol (non-pre­­ferred nam e) [French] [ACD/IUPAC Name]
6-Azi­­do-6-deoxy-b-cyclodex­trin
98169-85-8 [RN]
b-Cyclodex­trin, 6A-azi­­do-6A-deoxy-
MFCD05864973
Mono-(6-Azido-6-deoxy)-β-cyclodextrin

SMILES

C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)N=[N+]=[N-]

Std­InChI

InChI=1S/C42H69N3O34/c43-45-44-1-8-29-15(52)22(59)36(66-8)74-30-9(2-46)68-38(24(61)17(30)54)76-32-11(4-48)70-40(26(63)19(32)56)78-34-13(6-50)72-42(28(65)21(34)58)79-35-14(7-51)71-41(27(64)20(35)57)77-33-12(5-49)69-39(25(62)18(33)55)75-31-10(3-47)67-37(73-29)23(60)16(31)53/h8-42,46-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,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-/m1/s1

Std­InChIKey

CNX­CXS­MYM­L­­PAMS-FOUAGVGXSA-N

Mol­e­c­u­lar Formula

C₄₂H₇₁NO₃₄

Mol­e­c­u­lar Weight

1160

Prop­er­ties

Appear­ance

White pow­der

Melt­ing Point

206°C(dec.)(lit.)

Safe­ty Data

WGK Germany

3

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our Mono-6-Azi­­do-6-deoxy-beta-Cyclodex­trin CAS 98169-85-8

Iden­ti­fi­ca­tion Methods

HNMR, HPLC

Puri­ty

98% min

Shelf Life

2 years

Stor­age

Under room tem­per­a­ture away from light

Known Appli­ca­tion

Azide beta-cyclodex­trin con­tains azide-based high-ener­­gy active func­tion­al groups and is a valu­able cyclodex­trin deriv­a­tive inter­me­di­ate. It can be used for amine intro­duc­tion and 1,3-dipolar cycload­di­tion reac­tions with alkynes It is wide­ly used in the field of drug devel­op­ment, and can also be used as a pre­cur­sor of a selec­tor in a chi­ral sta­tion­ary phase.

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