3A-Amino-3A-deoxy-(2AS,3AS)-beta-cyclodextrin

Base Information

• Chemical Name: 3A-Amino-3A-deoxy-(2AS,3AS)-beta-cyclodextrin
• CAS No.: 117194-77-1
• Molecular Formula: C₄₂H₇₁NO₃₄
• Molecular Weight: 1134.01
• DSSTox Substance ID: DTXSID20462166
• Wikidata: Q82286664
• Mol file: 117194-77-1.mol

Synonyms:3A-Amino-3A-deoxy-(2AS,3AS)-beta-cyclodextrin;117194-77-1;DTXSID20462166;HY-W145671;CS-0226104;J-003535

Chemical Property of 3A-Amino-3A-deoxy-(2AS,3AS)-beta-cyclodextrin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 139 ° (C=4, DMSO)
• Boiling Point: 1522.5ºC at 760 mmHg
• PKA: 12.57±0.70(Predicted)
• Flash Point: 874.6ºC
• PSA: 569.07000
• Density: 1.598g/cm3
• LogP: -14.62820
• Storage Temp.: Refrigerator
• XLogP3: -15.3
• Hydrogen Bond Donor Count: 21
• Hydrogen Bond Acceptor Count: 35
• Rotatable Bond Count: 7
• Exact Mass: 1133.3857483
• Heavy Atom Count: 77
• Complexity: 1840

Purity/Quality:

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

3A-Amino-3A-deoxy-(2AS,3AS)-β-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(O2)C(C8O)O)CO)CO)CO)CO)CO)CO)O)N)O
• 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](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)N)O

Technology Process of 3A-Amino-3A-deoxy-(2AS,3AS)-beta-cyclodextrin

There total 2 articles about 3A-Amino-3A-deoxy-(2AS,3AS)-beta-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: 93.0%

3A-azido-3A-deoxy-altro-β-cyclodextrin (161523-00-8) → (2AS,3AS)-3A-amino-3A-deoxy-3A-β-cyclodextrin (125827-01-2,117194-77-1)

Guidance literature:

3^A-azido-3^A-deoxy-altro-β-cyclodextrin; With triphenylphosphine; In N,N-dimethyl-formamide; at 40 ℃; for 24h;

With ammonium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

DOI:10.1021/jo035229m

Reference yield:

β-cyclodextrin-2,3-mannoepoxide (84648-78-2) → (2AS,3AS)-3A-amino-3A-deoxy-3A-β-cyclodextrin (125827-01-2,117194-77-1)

Guidance literature:

With ammonium hydroxide; at 60 ℃; for 3h; Yield given;

DOI:10.1246/cl.1988.553

Reference yield: 45.0%

3-(((benzylthio)carbonothioyl)thio)propanoic acid (497931-76-7) + (2AS,3AS)-3A-amino-3A-deoxy-3A-β-cyclodextrin (125827-01-2,117194-77-1) → C53H81NO35S3

Guidance literature:

With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; at 20 - 50 ℃; for 8h;

DOI:10.3762/bjoc.12.244

upstream raw materials:

β-cyclodextrin-2,3-mannoepoxide

3^A-azido-3^A-deoxy-altro-β-cyclodextrin

Downstream raw materials:

C₅₁H₇₇NO₃₇

Refernces

• 1、 Murakami, Teiichi,Harata, Kazuaki,Morimoto, Satoshi. "Synthesis and Chiral Recognition Property of 3-Acetylamino-3-deoxy-β-cyclodextrin". . p. 553 - 556. Retrieved 1988.