CID 12897795

Base Information

• Chemical Name: CID 12897795
• CAS No.: 1824-89-1
• Molecular Formula: C7H14 O6
• Molecular Weight: 194.185
• Nikkaji Number: J2.584.357F
• Mol file: 1824-89-1.mol

Synonyms:1824-89-1;(2R,3R,4R,5R)-2-[(1R)-1,2-DIHYDROXYETHYL]-5-METHOXYOXOLANE-3,4-DIOL;SCHEMBL7150731;.Beta.-D-glucofuranoside,methyl

Chemical Property of CID 12897795

Chemical Property:

• Boiling Point: 444.8±45.0 °C(Predicted)
• PKA: 13.12±0.70(Predicted)
• PSA: 99.38000
• Density: 1.47±0.1 g/cm3(Predicted)
• LogP: -2.56730
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 194.07903816
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1C(C(C(O1)C(CO)O)O)O
• Isomeric SMILES: CO[C@H]1[C@@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O

Technology Process of CID 12897795

There total 8 articles about CID 12897795 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: 75.0%

methanol (67-56-1) + D-glucose (50-99-7) → methyl-D-glucofuranosides (1824-88-0,1824-89-1,1824-93-7,3795-67-3,4097-91-0,26295-70-5,28642-51-5,28642-52-6,50692-28-9,56654-34-3,56654-35-4,56654-39-8,58650-82-1,58650-83-2,59368-13-7,72813-12-8,72813-13-9,72813-14-0,72813-15-1,72813-16-2,72813-17-3,72813-18-4,72813-22-0,84293-45-8,89886-06-6,89886-07-7,89886-08-8,109959-34-4,109959-35-5,138052-46-7)

Guidance literature:

With iron(III) chloride; for 7h; Ambient temperature;

DOI:10.1080/00397919108019762

Reference yield:

methanol (67-56-1) + D-glucose (50-99-7) → β-D-glucose (492-61-5) + alpha-D-glucopyranose (492-62-6) + methyl β-fructopyranoside (3765-95-5,4049-49-4,4208-77-9,15219-31-5,53685-18-0,60504-78-1,60504-80-5,60504-81-6,63526-48-7,79549-14-7,79549-15-8,79549-16-9,79549-17-0,143731-44-6) + methyl β-D-fructofuranoside (13403-14-0,15219-93-9,16975-88-5,51295-55-7,51295-56-8,52443-09-1,60504-77-0,60504-79-2,63526-47-6,69460-17-9,92283-23-3) + methyl α-D-fructofuranoside (13403-14-0,15219-93-9,16975-88-5,51295-55-7,51295-56-8,52443-09-1,60504-77-0,60504-79-2,63526-47-6,69460-17-9,92283-23-3) + [14C]-alpha-Methyl-D-glucopyranoside (1824-88-0) + methyl β-D-glucofuranoside (1824-89-1)

Guidance literature:

With aluminium(III) triflate; 2,6-di-tert-butyl-4-methylpyridine; for 36h; under 760.051 Torr; Reflux;

DOI:10.1002/cssc.201900292

Reference yield:

methanol (67-56-1) + D-Glucose (2280-44-6) → [14C]-alpha-Methyl-D-glucopyranoside (1824-88-0) + methyl β-D-glucofuranoside (1824-89-1) + methyl beta-D-glucopyranoside (709-50-2) + methyl-alpha-D-glucopyranoside (97-30-3)

Guidance literature:

With iodine; for 40h; Title compound not separated from byproducts; Heating;

upstream raw materials:

methanol

D-Glucose

1,2-O-isopropylidene-α-D-glucofuranose

D-glucose