((2R,3S,4S,5R,6S)-6-(2-(3-(benzofuran-5-yl)propanoyl)-3-hydroxy-5-methylphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl methyl carbonate

Base Information

• Chemical Name: ((2R,3S,4S,5R,6S)-6-(2-(3-(benzofuran-5-yl)propanoyl)-3-hydroxy-5-methylphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl methyl carbonate
• CAS No.: 209746-59-8
• Molecular Formula: C26H28O11
• Molecular Weight: 516.49
• UNII: 94E730CSAF
• Nikkaji Number: J1.265.349B
• Wikidata: Q27271673
• ChEMBL ID: CHEMBL492958
• Mol file: 209746-59-8.mol

Synonyms:T 1095;T-1095

Chemical Property of ((2R,3S,4S,5R,6S)-6-(2-(3-(benzofuran-5-yl)propanoyl)-3-hydroxy-5-methylphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl methyl carbonate

Chemical Property:

• Boiling Point: 732.3±60.0 °C(Predicted)
• PKA: 7.47±0.40(Predicted)
• PSA: 165.12000
• Density: 1.425±0.06 g/cm3(Predicted)
• LogP: 2.23170
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 10
• Exact Mass: 516.16316171
• Heavy Atom Count: 37
• Complexity: 778

Purity/Quality:

99%, ^*data from raw suppliers

T-1095 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)OC2C(C(C(C(O2)COC(=O)OC)O)O)O)C(=O)CCC3=CC4=C(C=C3)OC=C4)O
• Isomeric SMILES: CC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)OC)O)O)O)C(=O)CCC3=CC4=C(C=C3)OC=C4)O

Technology Process of ((2R,3S,4S,5R,6S)-6-(2-(3-(benzofuran-5-yl)propanoyl)-3-hydroxy-5-methylphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl methyl carbonate

There total 14 articles about ((2R,3S,4S,5R,6S)-6-(2-(3-(benzofuran-5-yl)propanoyl)-3-hydroxy-5-methylphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl methyl carbonate 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: 94.0%

3-(5-benzo[b]furanyl)-2'-(6-O-methoxycarbonyl-β-D-glucopyranosyloxy)-6'-allyloxy-4'-methylpropiophenone (209746-58-7) → T-1095 (209746-59-8)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; ammonium formate; In acetonitrile; for 3h; Heating;

DOI:10.1021/jm990175n

Reference yield: 43.0%

methanol (67-56-1) + 3-(benzo[b]furan-5-yl)-2',6'-dihydroxy-4'-methylpropiophenone 2'-O-(4,6-O-carbonyl-β-D-glucopyranoside) (209746-89-4) → T-1095 (209746-59-8) + 3-(benzo[b]furan-5-yl)-2',6'-dihydroxy-4'-methylpropiophenone 2'-O-(4-O-methoxycarbonyl-β-D-glucopyranoside)

Guidance literature:

With toluene-4-sulfonic acid; at 20 ℃; for 1h;

DOI:10.1021/jm990175n

Reference yield:

dichlorobis(triphenylphosphine)palladium[II] + 3-(5-benzo[b]furanyl)-2'-(6-O-methoxycarbonyl-β-D-glucopyranosyloxy)-6'-allyloxy-4'-methylpropiophenone (209746-58-7) → T-1095 (209746-59-8)

Guidance literature:

With ammonium formate; In water; ethyl acetate; acetonitrile;

upstream raw materials:

methanol

3-(benzo[b]furan-5-yl)-2',6'-dihydroxy-4'-methylpropiophenone 2'-O-(4,6-O-carbonyl-β-D-glucopyranoside)

3-(5-benzo[b]furanyl)-2'-(6-O-methoxycarbonyl-β-D-glucopyranosyloxy)-6'-allyloxy-4'-methylpropiophenone

orcinol

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