(2R,3R,4S,5R,6R)-2-((Benzoyloxy)methyl)-6-(((4-(trifluoromethyl)benzyl)thio)((4-(trifluoromethyl)phenyl)imino)methoxy)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate

Base Information

• Chemical Name: (2R,3R,4S,5R,6R)-2-((Benzoyloxy)methyl)-6-(((4-(trifluoromethyl)benzyl)thio)((4-(trifluoromethyl)phenyl)imino)methoxy)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate
• CAS No.: 428816-48-2
• Molecular Formula: C₅₀H₃₇F₆NO₁₀S
• Molecular Weight: 957.901
• DSSTox Substance ID: DTXSID60463970
• Nikkaji Number: J1.694.330D
• Mol file: 428816-48-2.mol

Synonyms:428816-48-2;(2R,3R,4S,5R,6R)-2-((Benzoyloxy)methyl)-6-(((4-(trifluoromethyl)benzyl)thio)((4-(trifluoromethyl)phenyl)imino)methoxy)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate;2,3,4,6-Tetra-O-benzoyl-alpha-D-glucopyranosyl p-Trifluoromethylbenzylthio-N-(p-trifluoromethylphenyl)formimidate;CID 11378098;(2R,3R,4S,5R,6R)-4,5-bis(benzoyloxy)-6-[(benzoyloxy)methyl]-2-[(Z)-{[4-(trifluoromethyl)phenyl]imino}({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)methoxy]oxan-3-yl benzoate;[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-[N-[4-(trifluoromethyl)phenyl]-C-[[4-(trifluoromethyl)phenyl]methylsulfanyl]carbonimidoyl]oxyoxan-2-yl]methyl benzoate;2,3,4,6-Tetra-O-benzoyl-|A-D-glucopyranosyl p-Trifluoromethylbenzylthio-N-(p-trifluoromethylphenyl)formimidate;DTXSID60463970;MFCD29050301;AKOS027252968;AS-75289;CS-0226028;T1991;T72467;A872798;(2R,3R,4S,5R,6R)-2-((Benzoyloxy)methyl)-6-(((4-(trifluoromethyl)benzyl)thio)((4-(trifluoromethyl)phenyl)imino)methoxy)tetrahydro-2H-pyran-3,4,5-triyltribenzoate;2,3,4,6-Tetra-O-benzoyl-1-O-[(Z)-{[4-(trifluoromethyl)phenyl]imino}({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)methyl]-alpha-D-glucopyranose

Chemical Property of (2R,3R,4S,5R,6R)-2-((Benzoyloxy)methyl)-6-(((4-(trifluoromethyl)benzyl)thio)((4-(trifluoromethyl)phenyl)imino)methoxy)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate

Chemical Property:

• Vapor Pressure: 4.32E-33mmHg at 25°C
• Refractive Index: 1.585
• Boiling Point: 899.4°C at 760 mmHg
• Flash Point: 497.8°C
• PSA: 161.32000
• Density: 1.34g/cm³
• LogP: 10.92040
• Storage Temp.: Freezer
• Solubility.: slightly sol. in Chloroform
• XLogP3: 12.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 19
• Exact Mass: 957.20423652
• Heavy Atom Count: 68
• Complexity: 1660

Purity/Quality:

97% ^*data from raw suppliers

2,3,4,6-Tetra-O-benzoyl-α-D-glucopyranosyl p-Trifluoromethylbenzylthio-N-(p-trifluoromethylphenyl)formimidate >96.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OC(=NC3=CC=C(C=C3)C(F)(F)F)SCC4=CC=C(C=C4)C(F)(F)F)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC(=NC3=CC=C(C=C3)C(F)(F)F)SCC4=CC=C(C=C4)C(F)(F)F)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7

Technology Process of (2R,3R,4S,5R,6R)-2-((Benzoyloxy)methyl)-6-(((4-(trifluoromethyl)benzyl)thio)((4-(trifluoromethyl)phenyl)imino)methoxy)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate

There total 2 articles about (2R,3R,4S,5R,6R)-2-((Benzoyloxy)methyl)-6-(((4-(trifluoromethyl)benzyl)thio)((4-(trifluoromethyl)phenyl)imino)methoxy)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate 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:

4-(trifluoromethyl)phenyl isothiocyanate (1645-65-4) + 2,3,4,6-tetra-O-benzoyl-D-glucopyranose (627466-64-2) + 4-bromomethyltrifluoromethylbenzene (402-49-3) → C50H37F6NO10S (428816-48-2) + 2,3,4,6-tetra-O-benzoyl-α-D-glucopyranosyl p-trifluoromethylbenzylthio-p-trifluoromethylphenyl formimidate (428816-48-2)

Guidance literature:

4-(trifluoromethyl)phenyl isothiocyanate; 2,3,4,6-tetra-O-benzoyl-D-glucopyranose; With potassium hexamethylsilazane; In tetrahydrofuran; at -78 ℃;

4-bromomethyltrifluoromethylbenzene; at 0 ℃;

DOI:10.1246/cl.2002.392

Reference yield:

4-(trifluoromethyl)phenyl isothiocyanate (1645-65-4) + 2,3,4,6-tetra-O-benzoyl-D-glucopyranose (627466-64-2) + 4-bromomethyltrifluoromethylbenzene (402-49-3) → C50H37F6NO10S (428816-48-2) + 2,3,4,6-tetra-O-benzoyl-α-D-glucopyranosyl p-trifluoromethylbenzylthio-p-trifluoromethylphenyl formimidate (428816-48-2)

Guidance literature:

4-(trifluoromethyl)phenyl isothiocyanate; 2,3,4,6-tetra-O-benzoyl-D-glucopyranose; With potassium hexamethylsilazane; In tetrahydrofuran; at -78 ℃;

4-bromomethyltrifluoromethylbenzene; at 0 ℃;

DOI:10.1246/cl.2002.392

upstream raw materials:

4-(trifluoromethyl)phenyl isothiocyanate

2,3,4,6-tetra-O-benzoyl-D-glucopyranose

4-bromomethyltrifluoromethylbenzene

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