CID 16133039

Base Information

• Chemical Name: CID 16133039
• CAS No.: 23739-88-0
• Molecular Formula: C84H112 O56
• Molecular Weight: 2017.75
• Mol file: 23739-88-0.mol

Synonyms:TA-beta-CD;triacetyl-beta-cyclodextrin

Chemical Property of CID 16133039

Chemical Property:

• Melting Point: 204-206 °C(lit.)
• Refractive Index: 123 ° (C=1, CH3CN)
• Boiling Point: 1361.8°Cat760mmHg
• Flash Point: 444.8°C
• PSA: 681.52000
• Density: 1.45g/cm³
• LogP: -3.24380
• Solubility.: Soluble in chloroform, DMF. Insoluble in water.
• XLogP3: -3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 56
• Rotatable Bond Count: 49
• Exact Mass: 2016.5916223
• Heavy Atom Count: 140
• Complexity: 3700

Purity/Quality:

98%,99%, ^*data from raw suppliers

Triacetyl-β-cyclodextrin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1C2C(C(C(O1)OC3C(OC(C(C3OC(=O)C)OC(=O)C)OC4C(OC(C(C4OC(=O)C)OC(=O)C)OC5C(OC(C(C5OC(=O)C)OC(=O)C)OC6C(OC(C(C6OC(=O)C)OC(=O)C)OC7C(OC(C(C7OC(=O)C)OC(=O)C)OC8C(OC(O2)C(C8OC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)COC(=O)C)COC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
• Uses: Triacetyl-β-cyclodextrin is a derivative of β-Cyclodextrin (C987830) and can be used as an extractant agent or drug carrier for controlled drug delivery. Invovled in studies of:Controlled drug release of an inclusion complexBiocompatible excipients for solubilization and deaggregation of cobalt bis(dicarbollide) derivatives in waterExtraction of aromatic amino acidsEmulsifiersPolymerization initiation of cyclic estersSustained release matrix tablets

Technology Process of CID 16133039

There total 6 articles about CID 16133039 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: 96.0%

acetic anhydride (108-24-7) + β‐cyclodextrin (7585-39-9) → peracetylated β-cyclodextrin (23739-88-0)

Guidance literature:

With iodine; at 20 ℃; for 24h; neat (no solvent);

DOI:10.1055/s-0030-1258163

Reference yield: 78.0%

acetyl chloride (75-36-5) + β‐cyclodextrin (7585-39-9) → peracetylated β-cyclodextrin (23739-88-0)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 24h;

DOI:10.1134/S1070428011020205

Reference yield:

acetic anhydride (108-24-7) → peracetylated β-cyclodextrin (23739-88-0)

Guidance literature:

With pyridine;

upstream raw materials:

acetic anhydride

tert-butyldimethylsilyl chloride

β‐cyclodextrin

acetyl chloride

Downstream raw materials:

2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl-[(1→4)-2,3,6-tri-O-acetyl-α-D-glucopyranosyl]₅-(1→4)-1,2,3,6-tetra-O-acetyl-α,β-D-glucopyranose

Refernces

• 1、 Inoue, Motoki,Hashizaki, Kaname,Taguchi, Hiroyuki,Saito, Yoshihiro. "Emulsion preparation using β-cyclodextrin and its derivatives acting as an emulsifier". . p. 1335 - 1337. Retrieved 2008.
• 2、 Uekama,Horikawa,Yamanaka,Hirayama. "Peracylated β-cyclodextrins as novel sustained-release carriers for a water-soluble drug, molsidomine". . p. 714 - 717. Retrieved 1994.
• 3、 Lian, Chang-Ming,Jiang, Li-Ping,Liu, Dong-Liang. "Synthesis and characterization of acetylated sept-d-glucopyranose carbamate as an oligosaccharide donor". supporting information. p. 134 - 136. Retrieved 2014/02/14.
• 4、 Zhang, Jianbo,Zhang, Bo,Zhou, Jiafen,Li, Juan,Shi, Chunjuan,Huang, Ting,Wang, Zhongfu,Tang, Jie. "H2SO4-SiO2: Highly efficient and reusable catalyst for per-O-acetylation of carbohydrates under solvent-free conditions". experimental part. p. 165 - 177. Retrieved 2012/01/19.