1-o-Capryloylsucrose

Base Information

• Chemical Name: 1-o-Capryloylsucrose
• CAS No.: 123499-65-0
• Molecular Formula: C₂₀H₃₆O₁₂
• Molecular Weight: 468.499
• UNII: ORU4D1H61F
• Nikkaji Number: J663.613F
• Wikidata: Q27285808
• Mol file: 123499-65-0.mol

Synonyms:1-o-Capryloylsucrose;1-o-Capryloylsucrose, (+)-;UNII-ORU4D1H61F;ORU4D1H61F;123499-65-0;alpha-D-Glucopyranoside, 1-O-(1-oxooctyl)-beta-D-fructofuranosyl;.alpha.-D-Glucopyranoside, .beta.-D-fructofuranosyl, monooctanoate;SCHEMBL308176;C20H36O12;C20-H36-O12;Q27285808;1-O-Octanoyl-beta-D-fructofuranosyl alpha-D-glucopyranoside;.ALPHA.-D-GLUCOPYRANOSIDE, 1-O-(1-OXOOCTYL)-.BETA.-D-FRUCTOFURANOSYL

Chemical Property of 1-o-Capryloylsucrose

Chemical Property:

• XLogP3: -0.7
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 13
• Exact Mass: 468.22067658
• Heavy Atom Count: 32
• Complexity: 577

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCC(=O)OCC1(C(C(C(O1)CO)O)O)OC2C(C(C(C(O2)CO)O)O)O
• Isomeric SMILES: CCCCCCCC(=O)OC[C@@]1([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

Technology Process of 1-o-Capryloylsucrose

There total 4 articles about 1-o-Capryloylsucrose 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: 40.0%

3-octanoyl-5-methyl-1,3,4-thiadiazole-2(3H)-thione (134403-80-8) + Sucrose (57-50-1) → 1'-sucrose monooctanoate (123499-65-0) + 6'-sucrose monooctanoate (136152-82-4) + 6-O-octanoylsucrose (13039-39-9)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In N,N-dimethyl-formamide; at -20 - -10 ℃; for 2h; Yields of byproduct given;

DOI:10.1016/0040-4039(91)80815-N

Reference yield:

vinyl octanoate (818-44-0) + Sucrose (57-50-1) → 1'-sucrose monooctanoate (123499-65-0) + 6'-sucrose monooctanoate (136152-82-4) + 6-O-octanoylsucrose (13039-39-9)

Guidance literature:

With water; In N,N-dimethyl-formamide; at 45 ℃; for 96h; Title compound not separated from byproducts.;

DOI:10.1002/chem.200500773

Reference yield:

2,2,2-trifluoroethyl octanoate (2264-29-1) + Sucrose (57-50-1) → 1'-sucrose monooctanoate (123499-65-0) + 6'-sucrose monooctanoate (136152-82-4) + 6-O-octanoylsucrose (13039-39-9) + 3-sucrose monooctanoate

Guidance literature:

With proteinase N; In water; N,N-dimethyl-formamide; at 45 ℃; for 168h; pH=7.8; Further byproducts given;

DOI:10.1016/S0957-4166(01)00424-4

upstream raw materials:

3-octanoyl-5-methyl-1,3,4-thiadiazole-2(3H)-thione

Sucrose

2,2,2-trifluoroethyl octanoate

3-octanoylthiazolidine-2-thione