Octakis-6-bromo-6-deoxy-gamma-cyclodextrin

Base Information

• Chemical Name: Octakis-6-bromo-6-deoxy-gamma-cyclodextrin
• CAS No.: 53784-84-2
• Molecular Formula: C48 H72 Br8 O32
• Molecular Weight: 1800.31
• Hs Code.: 9999999999
• European Community (EC) Number: 611-044-0
• DSSTox Substance ID: DTXSID201021110
• Nikkaji Number: J3.310.894J
• Mol file: 53784-84-2.mol

Synonyms:Octakis-6-bromo-6-deoxy-gamma-cyclodextrin;Octakis(6-Bromo-6-Deoxy)-|A-Cyclodextrin;53784-84-2;Octakis-(6-bromo-6-deoxy)-|A-cyclodextrin;DTXSID201021110;HY-133994;CS-0136267;J-700235;gamma-Cyclodextrin, 6A,6B,6C,6D,6E,6F,6G,6H-octabromo-6A,6B,6C,6D,6E,6F,6G,6H-octadeoxy-

Chemical Property of Octakis-6-bromo-6-deoxy-gamma-cyclodextrin

Chemical Property:

• Vapor Pressure: 0.002-0.007Pa at 20-25℃
• Melting Point: 213-217°C
• PKA: 11.56±0.70(Predicted)
• PSA: 471.36000
• Density: 1.948±0.06 g/cm3(Predicted)
• LogP: -6.18560
• Solubility.: Soluble in DMF, DMSO. Insoluble in water, methanol, chloroform.
• XLogP3: -5.6
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 32
• Rotatable Bond Count: 8
• Exact Mass: 1799.73917
• Heavy Atom Count: 88
• Complexity: 1750

Purity/Quality:

99.9% ^*data from raw suppliers

Octakis-(6-bromo-6-deoxy)-γ-cyclodextrin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O2)C(C9O)O)CBr)CBr)CBr)CBr)CBr)CBr)CBr)O)O)Br
• Isomeric 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]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CBr)CBr)CBr)CBr)CBr)CBr)CBr)O)O)Br
• Uses: Octakis-(6-bromo-6-deoxy)-γ-cyclodextrin is derived from γ-Cyclodextrin (C989095), which is used as nanomolecular encapsulation for drug delivery and pharmaceuticals and used in the synthesis of unilamellar vesicles. Also, it inhibits neurite growth in vitro.

Technology Process of Octakis-6-bromo-6-deoxy-gamma-cyclodextrin

There total 4 articles about Octakis-6-bromo-6-deoxy-gamma-cyclodextrin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

?-cyclodextrin → octakis(6-bromo-6-deoxy)-γ-cyclodextrin (53784-84-2)

Guidance literature:

With N-(bromomethylene)-N-methylmethanaminium bromide; In N,N-dimethyl-formamide; at 50 - 80 ℃; for 20h;

Reference yield: 95.0%

cyclomaltooctaose (17465-86-0) → octakis(6-bromo-6-deoxy)-γ-cyclodextrin (53784-84-2)

Guidance literature:

With tetrabutylammomium bromide; (chloro-phenylthio-methylene)dimethylammonium chloride; In N,N-dimethyl-formamide; at 20 ℃; regioselective reaction;

DOI:10.1055/s-0030-1260241

Reference yield:

gamma-cyclodextrin → octakis(6-bromo-6-deoxy)-γ-cyclodextrin (53784-84-2)

Guidance literature:

With tributylphosphine; bromine; In N,N-dimethyl-formamide; at 20 - 70 ℃;

upstream raw materials:

cyclomaltooctaose

Downstream raw materials:

octakis[6-(2-aminopropylamino)-6-deoxy]-γCD

octakis[6-(2-aminoethylamino)-6-deoxy]-γCD

C₈₈H₁₄₄O₄₈S₈

Refernces

• 1、 -. "AN IMPROVED PROCESS FOR THE PREPARATION OF SUGAMMADEX SODIUM AND ITS NOVEL POLYMORPHIC FORM". Page/Page column 25. . Retrieved 2020/04/25.
• 2、 -. "POLYMORPHS OF SUGAMMADEX AND PROCESS FOR PREPARATION OF SUGAMMADEX". Paragraph 0026-0027. . Retrieved 2019/03/08.